1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea

C9H18N4O — CID 66630468

IUPAC1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CCNC1)N[C@@H]1CCNC1
InChIInChI=1S/C9H18N4O/c14-9(12-7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2,(H2,12,13,14)/t7-,8?/m1/s1
InChIKeyWMBDHJBBVGLTTB-GVHYBUMESA-N
MW198.27 g/mol
LogP-0.99
Rot. Bonds2

About 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea

1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea (PubChem CID 66630468) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
PubChem CID66630468
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CCNC1)N[C@@H]1CCNC1
InChIInChI=1S/C9H18N4O/c14-9(12-7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2,(H2,12,13,14)/t7-,8?/m1/s1
InChIKeyWMBDHJBBVGLTTB-GVHYBUMESA-N
XLogP-0.99
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea 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

1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
N-pyrrolidin-3-ylpropanamide
CID 18337238
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
1-methyl-3-piperidin-4-ylurea
CID 18759970

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea?
The IUPAC name of 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea (CID 66630468) is 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea is O=C(NC1CCNC1)N[C@@H]1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea?
The InChIKey is WMBDHJBBVGLTTB-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N4O/c14-9(12-7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2,(H2,12,13,14)/t7-,8?/m1/s1.
What are the key properties of 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea?
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea has a molecular weight of 198.27 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 66630468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).