1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea

C14H19N3O — CID 47816038

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-11-4-2-1-3-5-11)16-12-8-9-17(10-12)13-6-7-13/h1-5,12-13H,6-10H2,(H2,15,16,18)
InChIKeyRECJLUJRWKVOLO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds3

About 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea

1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea (PubChem CID 47816038) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
PubChem CID47816038
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-11-4-2-1-3-5-11)16-12-8-9-17(10-12)13-6-7-13/h1-5,12-13H,6-10H2,(H2,15,16,18)
InChIKeyRECJLUJRWKVOLO-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 94199597
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea (CID 47816038) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea?
The InChIKey is RECJLUJRWKVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(15-11-4-2-1-3-5-11)16-12-8-9-17(10-12)13-6-7-13/h1-5,12-13H,6-10H2,(H2,15,16,18).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea?
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea has a molecular weight of 245.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea is sourced from PubChem (CID 47816038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).