methyl N-hept-6-en-2-ylcarbamate

C9H17NO2 — CID 14448477

IUPACmethyl N-hept-6-en-2-ylcarbamate
SMILESC=CCCCC(C)NC(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-5-6-7-8(2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyQJRKUUAWPWXFHT-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds5

About methyl N-hept-6-en-2-ylcarbamate

methyl N-hept-6-en-2-ylcarbamate (PubChem CID 14448477) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-hept-6-en-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-hept-6-en-2-ylcarbamate
PubChem CID14448477
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-hept-6-en-2-ylcarbamate
SMILESC=CCCCC(C)NC(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-5-6-7-8(2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyQJRKUUAWPWXFHT-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-dec-9-enylcarbamate
CID 71626320
Methyl (1,1-difluorohex-5-en-2-yl)carbamate
CID 71420693
Carbamic acid, 2-cyclohexen-1-yl-, methyl ester
CID 10313230
methyl N-cyclohex-3-en-1-ylcarbamate
CID 11819259
Tert-butyl (2S)-hex-5-EN-2-ylcarbamate
CID 45091912
methyl N-cyclohept-4-en-1-ylcarbamate
CID 10103562
tert-butyl N-nona-1,8-dien-5-ylcarbamate
CID 42624686
tert-butyl N-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077
methyl N-(6-fluorocyclohex-3-en-1-yl)carbamate
CID 275911
methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate
CID 5383566
tert-butyl N-dec-1-en-5-ylcarbamate
CID 57325743
Butyl cyclohex-2-en-1-ylcarbamate
CID 71405455

Frequently Asked Questions

What is the IUPAC name of methyl N-hept-6-en-2-ylcarbamate?
The IUPAC name of methyl N-hept-6-en-2-ylcarbamate (CID 14448477) is methyl N-hept-6-en-2-ylcarbamate.
What is the SMILES notation for methyl N-hept-6-en-2-ylcarbamate?
The canonical SMILES for methyl N-hept-6-en-2-ylcarbamate is C=CCCCC(C)NC(=O)OC.
What is the InChIKey of methyl N-hept-6-en-2-ylcarbamate?
The InChIKey is QJRKUUAWPWXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-7-8(2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of methyl N-hept-6-en-2-ylcarbamate?
methyl N-hept-6-en-2-ylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hept-6-en-2-ylcarbamate is sourced from PubChem (CID 14448477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).