heptyl N-prop-2-enylcarbamate

C11H21NO2 — CID 123482137

IUPACheptyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-10-14-11(13)12-9-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyZQJMESPXPHFAMU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds8

About heptyl N-prop-2-enylcarbamate

heptyl N-prop-2-enylcarbamate (PubChem CID 123482137) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is heptyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameheptyl N-prop-2-enylcarbamate
PubChem CID123482137
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameheptyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-10-14-11(13)12-9-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyZQJMESPXPHFAMU-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze heptyl N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
octadecyl N-propylcarbamate
CID 175015942
hexyl N-tetradecylcarbamate
CID 91739120
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
azane;octyl N-octylcarbamate
CID 175531380
(pentylamino) N-prop-2-enylcarbamate
CID 87530951
N-prop-2-enyloctanamide
CID 4071942
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
henicosyl N-aminocarbamate
CID 174861039

Frequently Asked Questions

What is the IUPAC name of heptyl N-prop-2-enylcarbamate?
The IUPAC name of heptyl N-prop-2-enylcarbamate (CID 123482137) is heptyl N-prop-2-enylcarbamate.
What is the SMILES notation for heptyl N-prop-2-enylcarbamate?
The canonical SMILES for heptyl N-prop-2-enylcarbamate is C=CCNC(=O)OCCCCCCC.
What is the InChIKey of heptyl N-prop-2-enylcarbamate?
The InChIKey is ZQJMESPXPHFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-10-14-11(13)12-9-4-2/h4H,2-3,5-10H2,1H3,(H,12,13).
What are the key properties of heptyl N-prop-2-enylcarbamate?
heptyl N-prop-2-enylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl N-prop-2-enylcarbamate is sourced from PubChem (CID 123482137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).