2-pyrrolidin-2-ylpropylurea

C8H17N3O — CID 70245040

IUPAC2-pyrrolidin-2-ylpropylurea
SMILESCC(CNC(N)=O)C1CCCN1
InChIInChI=1S/C8H17N3O/c1-6(5-11-8(9)12)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H3,9,11,12)
InChIKeyKCWNWZFMBQWZGE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds3

About 2-pyrrolidin-2-ylpropylurea

2-pyrrolidin-2-ylpropylurea (PubChem CID 70245040) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylpropylurea.

Molecular Properties

Compound Name2-pyrrolidin-2-ylpropylurea
PubChem CID70245040
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-pyrrolidin-2-ylpropylurea
SMILESCC(CNC(N)=O)C1CCCN1
InChIInChI=1S/C8H17N3O/c1-6(5-11-8(9)12)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H3,9,11,12)
InChIKeyKCWNWZFMBQWZGE-UHFFFAOYSA-N
XLogP0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 124705776
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-pyrrolidin-2-ylbutanamide
CID 69095576
ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
4-piperidin-2-ylpentanoic acid
CID 174627267
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 101351583
(2R)-2-butan-2-ylpiperidine
CID 145087457

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylpropylurea?
The IUPAC name of 2-pyrrolidin-2-ylpropylurea (CID 70245040) is 2-pyrrolidin-2-ylpropylurea.
What is the SMILES notation for 2-pyrrolidin-2-ylpropylurea?
The canonical SMILES for 2-pyrrolidin-2-ylpropylurea is CC(CNC(N)=O)C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylpropylurea?
The InChIKey is KCWNWZFMBQWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(5-11-8(9)12)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3,(H3,9,11,12).
What are the key properties of 2-pyrrolidin-2-ylpropylurea?
2-pyrrolidin-2-ylpropylurea has a molecular weight of 171.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylpropylurea is sourced from PubChem (CID 70245040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).