[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea

C14H17N3O — CID 23127734

IUPAC[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea
SMILESCCc1cccn1Cc1cccc(NC(N)=O)c1
InChIInChI=1S/C14H17N3O/c1-2-13-7-4-8-17(13)10-11-5-3-6-12(9-11)16-14(15)18/h3-9H,2,10H2,1H3,(H3,15,16,18)
InChIKeyYFGHJWXAJBOTAO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

About [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea

[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea (PubChem CID 23127734) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea
PubChem CID23127734
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea
SMILESCCc1cccn1Cc1cccc(NC(N)=O)c1
InChIInChI=1S/C14H17N3O/c1-2-13-7-4-8-17(13)10-11-5-3-6-12(9-11)16-14(15)18/h3-9H,2,10H2,1H3,(H3,15,16,18)
InChIKeyYFGHJWXAJBOTAO-UHFFFAOYSA-N
XLogP2.59
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea?
The IUPAC name of [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea (CID 23127734) is [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea.
What is the SMILES notation for [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea?
The canonical SMILES for [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea is CCc1cccn1Cc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea?
The InChIKey is YFGHJWXAJBOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-13-7-4-8-17(13)10-11-5-3-6-12(9-11)16-14(15)18/h3-9H,2,10H2,1H3,(H3,15,16,18).
What are the key properties of [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea?
[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 23127734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).