(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone

C9H13N3O — CID 20703282

IUPAC(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C9H13N3O/c1-11-6-8(10-7-11)9(13)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyOPVGEEAYUPDNDB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.66
Rot. Bonds1

About (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone

(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20703282) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID20703282
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C9H13N3O/c1-11-6-8(10-7-11)9(13)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyOPVGEEAYUPDNDB-UHFFFAOYSA-N
XLogP0.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 122143394
2-[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 103859886
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018929
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone (CID 20703282) is (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone is Cn1cnc(C(=O)N2CCCC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OPVGEEAYUPDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-6-8(10-7-11)9(13)12-4-2-3-5-12/h6-7H,2-5H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone?
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 179.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20703282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).