2-pyrrolidin-1-ylethylurea;dihydrochloride

C7H17Cl2N3O — CID 174538220

IUPAC2-pyrrolidin-1-ylethylurea;dihydrochloride
SMILESCl.Cl.NC(=O)NCCN1CCCC1
InChIInChI=1S/C7H15N3O.2ClH/c8-7(11)9-3-6-10-4-1-2-5-10;;/h1-6H2,(H3,8,9,11);2*1H
InChIKeyMZQBEODMBHHKEE-UHFFFAOYSA-N
MW230.14 g/mol
LogP0.59
Rot. Bonds3

About 2-pyrrolidin-1-ylethylurea;dihydrochloride

2-pyrrolidin-1-ylethylurea;dihydrochloride (PubChem CID 174538220) has the molecular formula C7H17Cl2N3O and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethylurea;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethylurea;dihydrochloride
PubChem CID174538220
Molecular FormulaC7H17Cl2N3O
Molecular Weight230.14 g/mol
Exact Mass229.07
IUPAC Name2-pyrrolidin-1-ylethylurea;dihydrochloride
SMILESCl.Cl.NC(=O)NCCN1CCCC1
InChIInChI=1S/C7H15N3O.2ClH/c8-7(11)9-3-6-10-4-1-2-5-10;;/h1-6H2,(H3,8,9,11);2*1H
InChIKeyMZQBEODMBHHKEE-UHFFFAOYSA-N
XLogP0.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-1-ylethylurea;dihydrochloride 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

2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76947376
2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60673194
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-(2-piperidin-1-ylethylamino)acetamide
CID 60695664
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 85039251
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethylurea;dihydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylethylurea;dihydrochloride (CID 174538220) is 2-pyrrolidin-1-ylethylurea;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylethylurea;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylethylurea;dihydrochloride is Cl.Cl.NC(=O)NCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethylurea;dihydrochloride?
The InChIKey is MZQBEODMBHHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.2ClH/c8-7(11)9-3-6-10-4-1-2-5-10;;/h1-6H2,(H3,8,9,11);2*1H.
What are the key properties of 2-pyrrolidin-1-ylethylurea;dihydrochloride?
2-pyrrolidin-1-ylethylurea;dihydrochloride has a molecular weight of 230.14 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethylurea;dihydrochloride is sourced from PubChem (CID 174538220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).