tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate

C16H27NO4 — CID 11208719

IUPACtert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H27NO4/c1-8-10-17(14(18)21-15(3,4)5)12(9-2)13-11-19-16(6,7)20-13/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13+/m0/s1
InChIKeyDHDHZFVBXRHRQP-QWHCGFSZSA-N
MW297.40 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate

tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate (PubChem CID 11208719) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
PubChem CID11208719
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Nametert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H27NO4/c1-8-10-17(14(18)21-15(3,4)5)12(9-2)13-11-19-16(6,7)20-13/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13+/m0/s1
InChIKeyDHDHZFVBXRHRQP-QWHCGFSZSA-N
XLogP3.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101551
tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate
CID 102077689
tert-butyl N-[1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 134842785
tert-butyl N-but-3-enyl-N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 135030709
tert-butyl N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-prop-2-enylcarbamate
CID 135031111
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11506988
Tert-butyl 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72988231
methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10988424
tert-butyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyrrole-1-carboxylate
CID 11369225
methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
CID 11448587
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
CID 11482288
tert-butyl (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 15357900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate (CID 11208719) is tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The InChIKey is DHDHZFVBXRHRQP-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H27NO4/c1-8-10-17(14(18)21-15(3,4)5)12(9-2)13-11-19-16(6,7)20-13/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate has a molecular weight of 297.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 11208719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).