[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate

C18H24N2O4 — CID 134883298

IUPAC[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
SMILESO=C(NNC(=O)OCC1C[C@H]2C=C[C@@H]1C2)OCC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C18H24N2O4/c21-17(23-9-15-7-11-1-3-13(15)5-11)19-20-18(22)24-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2,(H,19,21)(H,20,22)/t11-,12-,13+,14+,15?,16?/m0/s1
InChIKeyYSXRRZGUSHNAJG-VISUBZFDSA-N
MW332.40 g/mol
LogP2.78
Rot. Bonds4

About [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate

[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate (PubChem CID 134883298) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate.

Molecular Properties

Compound Name[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
PubChem CID134883298
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
SMILESO=C(NNC(=O)OCC1C[C@H]2C=C[C@@H]1C2)OCC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C18H24N2O4/c21-17(23-9-15-7-11-1-3-13(15)5-11)19-20-18(22)24-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2,(H,19,21)(H,20,22)/t11-,12-,13+,14+,15?,16?/m0/s1
InChIKeyYSXRRZGUSHNAJG-VISUBZFDSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl (1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 124933514
2-bicyclo[2.2.1]hept-5-enylmethyl 2-fluoroprop-2-enoate
CID 139381242
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467
2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate;2-bicyclo[2.2.1]hept-5-enylmethyl methyl carbonate
CID 162125941
2-bicyclo[2.2.1]hept-5-enylmethyl 3-methoxypropanoate
CID 151716584
2-bicyclo[2.2.1]hept-5-enylmethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 69299162
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
CID 16687358
tris(2-bicyclo[2.2.1]hept-5-enylmethyl) phosphate
CID 70616526
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl decanoate
CID 177453546
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate?
The IUPAC name of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate (CID 134883298) is [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate.
What is the SMILES notation for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate?
The canonical SMILES for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate is O=C(NNC(=O)OCC1C[C@H]2C=C[C@@H]1C2)OCC1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate?
The InChIKey is YSXRRZGUSHNAJG-VISUBZFDSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(23-9-15-7-11-1-3-13(15)5-11)19-20-18(22)24-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2,(H,19,21)(H,20,22)/t11-,12-,13+,14+,15?,16?/m0/s1.
What are the key properties of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate?
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate is sourced from PubChem (CID 134883298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).