3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate

C11H17N3O2 — CID 10656714

IUPAC3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OCCCc1cnc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11(13-6-9-3-4-9)16-5-1-2-10-7-12-8-14-10/h7-9H,1-6H2,(H,12,14)(H,13,15)
InChIKeyHBCRJEMVQISNEV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.48
Rot. Bonds6

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

3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate (PubChem CID 10656714) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate
PubChem CID10656714
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OCCCc1cnc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11(13-6-9-3-4-9)16-5-1-2-10-7-12-8-14-10/h7-9H,1-6H2,(H,12,14)(H,13,15)
InChIKeyHBCRJEMVQISNEV-UHFFFAOYSA-N
XLogP1.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.48
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
(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
Cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate
CID 9860053
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
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-(cyclopropylmethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate (CID 10656714) is 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate is O=C(NCC1CC1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate?
The InChIKey is HBCRJEMVQISNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(13-6-9-3-4-9)16-5-1-2-10-7-12-8-14-10/h7-9H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(cyclopropylmethyl)carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.48, 6 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-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 10656714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).