butan-2-yl N-hex-1-en-3-ylcarbamate

C11H21NO2 — CID 139619219

IUPACbutan-2-yl N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)NC(=O)OC(C)CC
InChIInChI=1S/C11H21NO2/c1-5-8-10(7-3)12-11(13)14-9(4)6-2/h7,9-10H,3,5-6,8H2,1-2,4H3,(H,12,13)
InChIKeyQDLXWKOKLHRPQZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds6

About butan-2-yl N-hex-1-en-3-ylcarbamate

butan-2-yl N-hex-1-en-3-ylcarbamate (PubChem CID 139619219) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butan-2-yl N-hex-1-en-3-ylcarbamate.

Molecular Properties

Compound Namebutan-2-yl N-hex-1-en-3-ylcarbamate
PubChem CID139619219
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutan-2-yl N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)NC(=O)OC(C)CC
InChIInChI=1S/C11H21NO2/c1-5-8-10(7-3)12-11(13)14-9(4)6-2/h7,9-10H,3,5-6,8H2,1-2,4H3,(H,12,13)
InChIKeyQDLXWKOKLHRPQZ-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.87
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

((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid isopropyl ester
CID 10570600
ethyl N-pent-4-enylcarbamate
CID 10855731
tert-butyl N-[(1S)-1-methylbut-3-enyl]carbamate
CID 122432452
tert-butyl N-(6,6,6-trifluorohex-1-en-3-yl)carbamate
CID 163278327
tert-butyl N-(1-fluorohex-5-en-2-yl)carbamate
CID 168224196
Tert-butyl (2S)-hex-5-EN-2-ylcarbamate
CID 45091912
tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
CID 45092400
methyl N-hept-6-en-2-ylcarbamate
CID 14448477
tert-butyl N-nona-1,8-dien-5-ylcarbamate
CID 42624686
Tert-butyl hexa-1,5-dien-3-ylcarbamate
CID 45091895
ethyl N-[(2S)-3-oxohex-5-en-2-yl]carbamate
CID 93512077
tert-butyl N-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-hex-1-en-3-ylcarbamate?
The IUPAC name of butan-2-yl N-hex-1-en-3-ylcarbamate (CID 139619219) is butan-2-yl N-hex-1-en-3-ylcarbamate.
What is the SMILES notation for butan-2-yl N-hex-1-en-3-ylcarbamate?
The canonical SMILES for butan-2-yl N-hex-1-en-3-ylcarbamate is C=CC(CCC)NC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl N-hex-1-en-3-ylcarbamate?
The InChIKey is QDLXWKOKLHRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-8-10(7-3)12-11(13)14-9(4)6-2/h7,9-10H,3,5-6,8H2,1-2,4H3,(H,12,13).
What are the key properties of butan-2-yl N-hex-1-en-3-ylcarbamate?
butan-2-yl N-hex-1-en-3-ylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-hex-1-en-3-ylcarbamate is sourced from PubChem (CID 139619219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).