1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

C14H19N3O — CID 95312527

IUPAC1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-11-6-7-11)16-12-8-9-17(10-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,15,16,18)/t12-/m0/s1
InChIKeyPFDUNCCVFGVJOK-LBPRGKRZSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95312527) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
PubChem CID95312527
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-11-6-7-11)16-12-8-9-17(10-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,15,16,18)/t12-/m0/s1
InChIKeyPFDUNCCVFGVJOK-LBPRGKRZSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
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5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (CID 95312527) is 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is O=C(NC1CC1)N[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is PFDUNCCVFGVJOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(15-11-6-7-11)16-12-8-9-17(10-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,15,16,18)/t12-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 245.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95312527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).