1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea

C16H25N3O — CID 110775535

IUPAC1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCC2)c(C)n1C1CC1
InChIInChI=1S/C16H25N3O/c1-11-9-13(12(2)19(11)15-7-8-15)10-17-16(20)18-14-5-3-4-6-14/h9,14-15H,3-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyJECJQVDZAYSBAP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.18
Rot. Bonds4

About 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea

1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea (PubChem CID 110775535) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
PubChem CID110775535
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCC2)c(C)n1C1CC1
InChIInChI=1S/C16H25N3O/c1-11-9-13(12(2)19(11)15-7-8-15)10-17-16(20)18-14-5-3-4-6-14/h9,14-15H,3-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyJECJQVDZAYSBAP-UHFFFAOYSA-N
XLogP3.18
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea (CID 110775535) is 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea is Cc1cc(CNC(=O)NC2CCCC2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The InChIKey is JECJQVDZAYSBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-9-13(12(2)19(11)15-7-8-15)10-17-16(20)18-14-5-3-4-6-14/h9,14-15H,3-8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea has a molecular weight of 275.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea is sourced from PubChem (CID 110775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).