1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea

C11H21N3O — CID 115617971

IUPAC1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)NC1CCC1
InChIInChI=1S/C11H21N3O/c15-11(13-10-4-3-5-10)12-6-9-14-7-1-2-8-14/h10H,1-9H2,(H2,12,13,15)
InChIKeyFGYYKYOPOOUFNC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds4

About 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea

1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 115617971) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID115617971
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)NC1CCC1
InChIInChI=1S/C11H21N3O/c15-11(13-10-4-3-5-10)12-6-9-14-7-1-2-8-14/h10H,1-9H2,(H2,12,13,15)
InChIKeyFGYYKYOPOOUFNC-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

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CID 66030259
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CID 47163906
2-(cyclohexylcarbamoylamino)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448567
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825
1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 96562907
cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
1-cyclobutyl-3-(3-hydroxypropyl)urea
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CID 86998859

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea (CID 115617971) is 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea is O=C(NCCN1CCCC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is FGYYKYOPOOUFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(13-10-4-3-5-10)12-6-9-14-7-1-2-8-14/h10H,1-9H2,(H2,12,13,15).
What are the key properties of 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea?
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea 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 1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 115617971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).