3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea

C11H21N3O — CID 62699859

IUPAC3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
SMILESCCCN(C(=O)NC1CC1)C1CCNC1
InChIInChI=1S/C11H21N3O/c1-2-7-14(10-5-6-12-8-10)11(15)13-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyZFXONETUEWZOND-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds4

About 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea

3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea (PubChem CID 62699859) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
PubChem CID62699859
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
SMILESCCCN(C(=O)NC1CC1)C1CCNC1
InChIInChI=1S/C11H21N3O/c1-2-7-14(10-5-6-12-8-10)11(15)13-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyZFXONETUEWZOND-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
N-cyclopropyl-3-[ethyl(pyrrolidin-3-yl)amino]propanamide
CID 63300096
3-methyl-3-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 64700277
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea
CID 116658576
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
N-cyclohexyl-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304196
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea?
The IUPAC name of 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea (CID 62699859) is 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea.
What is the SMILES notation for 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea?
The canonical SMILES for 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea is CCCN(C(=O)NC1CC1)C1CCNC1.
What is the InChIKey of 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea?
The InChIKey is ZFXONETUEWZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-7-14(10-5-6-12-8-10)11(15)13-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea?
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea has a molecular weight of 211.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea is sourced from PubChem (CID 62699859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).