1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea

C12H21N3O — CID 115629326

IUPAC1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H21N3O/c16-12(13-9-2-1-3-9)14-10-6-7-15(8-10)11-4-5-11/h9-11H,1-8H2,(H2,13,14,16)
InChIKeyJPNNVPAQDOMOIE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.07
Rot. Bonds3

About 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea (PubChem CID 115629326) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
PubChem CID115629326
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H21N3O/c16-12(13-9-2-1-3-9)14-10-6-7-15(8-10)11-4-5-11/h9-11H,1-8H2,(H2,13,14,16)
InChIKeyJPNNVPAQDOMOIE-UHFFFAOYSA-N
XLogP1.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
1-(1-cyclopropylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933219
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
1-cyclopropyl-3-[(3S)-1-(3-propan-2-yloxycyclobutyl)pyrrolidin-3-yl]urea
CID 164640025
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097146
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea (CID 115629326) is 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea is O=C(NC1CCC1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea?
The InChIKey is JPNNVPAQDOMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12(13-9-2-1-3-9)14-10-6-7-15(8-10)11-4-5-11/h9-11H,1-8H2,(H2,13,14,16).
What are the key properties of 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea?
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea has a molecular weight of 223.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea is sourced from PubChem (CID 115629326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).