propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate

C11H19NO2 — CID 116655281

IUPACpropan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCC1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-11(13)12-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyPUMFESUSOCWLOT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.48
Rot. Bonds3

About propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate

propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate (PubChem CID 116655281) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
PubChem CID116655281
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCC1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-11(13)12-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyPUMFESUSOCWLOT-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
propan-2-yl N-cyclohex-3-en-1-ylcarbamate
CID 116656490
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate (CID 116655281) is propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate is CC(C)OC(=O)NCC1CC=CCC1.
What is the InChIKey of propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate?
The InChIKey is PUMFESUSOCWLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-11(13)12-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate?
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate is sourced from PubChem (CID 116655281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).