2-(1H-pyrrol-3-yl)ethylurea

C7H11N3O — CID 115168515

IUPAC2-(1H-pyrrol-3-yl)ethylurea
SMILESNC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C7H11N3O/c8-7(11)10-4-2-6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H3,8,10,11)
InChIKeyUKLPTROKPSPMIU-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.23
Rot. Bonds3

About 2-(1H-pyrrol-3-yl)ethylurea

2-(1H-pyrrol-3-yl)ethylurea (PubChem CID 115168515) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)ethylurea.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)ethylurea
PubChem CID115168515
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(1H-pyrrol-3-yl)ethylurea
SMILESNC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C7H11N3O/c8-7(11)10-4-2-6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H3,8,10,11)
InChIKeyUKLPTROKPSPMIU-UHFFFAOYSA-N
XLogP0.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 2-(1H-pyrrol-3-yl)ethylurea with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
CID 115159020
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
1-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181937
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
CID 115185742
2-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165433
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)ethylurea?
The IUPAC name of 2-(1H-pyrrol-3-yl)ethylurea (CID 115168515) is 2-(1H-pyrrol-3-yl)ethylurea.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)ethylurea?
The canonical SMILES for 2-(1H-pyrrol-3-yl)ethylurea is NC(=O)NCCc1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)ethylurea?
The InChIKey is UKLPTROKPSPMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7(11)10-4-2-6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H3,8,10,11).
What are the key properties of 2-(1H-pyrrol-3-yl)ethylurea?
2-(1H-pyrrol-3-yl)ethylurea has a molecular weight of 153.19 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)ethylurea is sourced from PubChem (CID 115168515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).