1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one

C16H22N4O2 — CID 138035471

IUPAC1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CC(N3CCNC3=O)C2)c(C)n1C1CC1
InChIInChI=1S/C16H22N4O2/c1-10-7-14(11(2)20(10)12-3-4-12)15(21)18-8-13(9-18)19-6-5-17-16(19)22/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,22)
InChIKeyDPQDKDPRYIEOSV-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.29
Rot. Bonds3

About 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one

1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one (PubChem CID 138035471) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one
PubChem CID138035471
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CC(N3CCNC3=O)C2)c(C)n1C1CC1
InChIInChI=1S/C16H22N4O2/c1-10-7-14(11(2)20(10)12-3-4-12)15(21)18-8-13(9-18)19-6-5-17-16(19)22/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,22)
InChIKeyDPQDKDPRYIEOSV-UHFFFAOYSA-N
XLogP1.29
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769
4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carbaldehyde
CID 110698857
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575295
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110880478
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 120819381
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807392
ethyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809062
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 112823559
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one (CID 138035471) is 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one is Cc1cc(C(=O)N2CC(N3CCNC3=O)C2)c(C)n1C1CC1.
What is the InChIKey of 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one?
The InChIKey is DPQDKDPRYIEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-7-14(11(2)20(10)12-3-4-12)15(21)18-8-13(9-18)19-6-5-17-16(19)22/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,22).
What are the key properties of 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one?
1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azetidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 138035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).