3-(1H-imidazol-5-yl)propyl N-ethylcarbamate

C9H15N3O2 — CID 10679435

IUPAC3-(1H-imidazol-5-yl)propyl N-ethylcarbamate
SMILESCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-11-9(13)14-5-3-4-8-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyNTTVNJUCWVHSKS-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.09
Rot. Bonds5

About 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate

3-(1H-imidazol-5-yl)propyl N-ethylcarbamate (PubChem CID 10679435) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-ethylcarbamate
PubChem CID10679435
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(1H-imidazol-5-yl)propyl N-ethylcarbamate
SMILESCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-11-9(13)14-5-3-4-8-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyNTTVNJUCWVHSKS-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
CID 10777275
3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate
CID 10015825

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate (CID 10679435) is 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate is CCNC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate?
The InChIKey is NTTVNJUCWVHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-11-9(13)14-5-3-4-8-6-10-7-12-8/h6-7H,2-5H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-ethylcarbamate?
3-(1H-imidazol-5-yl)propyl N-ethylcarbamate has a molecular weight of 197.24 g/mol, XLogP of 1.09, 5 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-ethylcarbamate is sourced from PubChem (CID 10679435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).