methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate

C10H18N2O2 — CID 90183086

IUPACmethyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate
SMILESCOC(=O)N[C@H]1C/C=C\CCC[C@H]1N
InChIInChI=1S/C10H18N2O2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,12,13)/b5-3-/t8-,9+/m1/s1
InChIKeyACUIZTHXQPHUEW-DEEBLQPQSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds1

About methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate

methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate (PubChem CID 90183086) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate
PubChem CID90183086
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate
SMILESCOC(=O)N[C@H]1C/C=C\CCC[C@H]1N
InChIInChI=1S/C10H18N2O2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,12,13)/b5-3-/t8-,9+/m1/s1
InChIKeyACUIZTHXQPHUEW-DEEBLQPQSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(1R,6R)-6-iodocyclohex-3-en-1-yl]carbamate
CID 90482110
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
S-ethyl N-[(2S,4E)-2-aminocyclooct-4-en-1-yl]carbamothioate
CID 90184216
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 101136349
tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
CID 118459009
tert-butyl N-[(1R,3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 118458947

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate?
The IUPAC name of methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate (CID 90183086) is methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate.
What is the SMILES notation for methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate?
The canonical SMILES for methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate is COC(=O)N[C@H]1C/C=C\CCC[C@H]1N.
What is the InChIKey of methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate?
The InChIKey is ACUIZTHXQPHUEW-DEEBLQPQSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,12,13)/b5-3-/t8-,9+/m1/s1.
What are the key properties of methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate?
methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,3E,8R)-8-aminocyclooct-3-en-1-yl]carbamate is sourced from PubChem (CID 90183086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).