3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate

C12H19N3O2 — CID 10545988

IUPAC3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate
SMILESC=CCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16)
InChIKeyULVWQSSQQHJQPK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds8

About 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate

3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate (PubChem CID 10545988) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate
PubChem CID10545988
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate
SMILESC=CCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16)
InChIKeyULVWQSSQQHJQPK-UHFFFAOYSA-N
XLogP2.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Fub 465
CID 9989449
3-(1H-imidazol-4-yl)propan-1-ol hydrochloride
CID 21715365
(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
Methyl 3-(1H-Imidazol-5-Yl)Propanoate
CID 565491
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
Dicyclopropylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester;C2H2O4
CID 10978306
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamate
CID 10515993
(R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamate
CID 10537958
Ethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10679435
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
CID 10777275

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate (CID 10545988) is 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate is C=CCCCNC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate?
The InChIKey is ULVWQSSQQHJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate?
3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-pent-4-enylcarbamate is sourced from PubChem (CID 10545988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).