cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene

C18H36N2O2 — CID 144871920

IUPACcyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene
SMILESC=CCCC.CC.CC.CC.O=C(OC1CC1)n1ccnc1
InChIInChI=1S/C7H8N2O2.C5H10.3C2H6/c10-7(11-6-1-2-6)9-4-3-8-5-9;1-3-5-4-2;3*1-2/h3-6H,1-2H2;3H,1,4-5H2,2H3;3*1-2H3
InChIKeyPOHDUTOTYDIOQI-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.08
Rot. Bonds3

About cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene

cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene (PubChem CID 144871920) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene.

Molecular Properties

Compound Namecyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene
PubChem CID144871920
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Namecyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene
SMILESC=CCCC.CC.CC.CC.O=C(OC1CC1)n1ccnc1
InChIInChI=1S/C7H8N2O2.C5H10.3C2H6/c10-7(11-6-1-2-6)9-4-3-8-5-9;1-3-5-4-2;3*1-2/h3-6H,1-2H2;3H,1,4-5H2,2H3;3*1-2H3
InChIKeyPOHDUTOTYDIOQI-UHFFFAOYSA-N
XLogP6.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4,4-dimethyl-3-methylidenecyclohexyl) imidazole-1-carboxylate
CID 145057021
(3S)-3-(imidazole-1-carbonyloxy)pyrrolidine-1-carboxylic acid
CID 70886432
buta-1,3-diene;ethane;1-imidazol-1-ylethanone
CID 143773294
[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate
CID 147714646
butyl imidazole-1-carboxylate
CID 12840941
1-imidazol-1-ylbut-3-en-1-one
CID 67206751
[4-(imidazole-1-carbonyl)cyclohexyl] 2,2-difluoropropanoate
CID 58400482
1-O-ethyl 3-O-prop-2-enyl 2-imidazol-1-ylpropanedioate;hydrochloride
CID 174597253
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
trans-methyl (1R,2S)-2-ethenyl-1-(imidazole-1-carbonylamino)cyclopropane-1-carboxylate
CID 66742386
1-(1-ethoxyethenyl)imidazole
CID 174806747

Frequently Asked Questions

What is the IUPAC name of cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene?
The IUPAC name of cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene (CID 144871920) is cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene.
What is the SMILES notation for cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene?
The canonical SMILES for cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene is C=CCCC.CC.CC.CC.O=C(OC1CC1)n1ccnc1.
What is the InChIKey of cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene?
The InChIKey is POHDUTOTYDIOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C5H10.3C2H6/c10-7(11-6-1-2-6)9-4-3-8-5-9;1-3-5-4-2;3*1-2/h3-6H,1-2H2;3H,1,4-5H2,2H3;3*1-2H3.
What are the key properties of cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene?
cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene has a molecular weight of 312.50 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl imidazole-1-carboxylate;ethane;pent-1-ene is sourced from PubChem (CID 144871920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).