3-cyclopentyl-1,1-bis(prop-2-enyl)urea

C12H20N2O — CID 108902716

IUPAC3-cyclopentyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-9-14(10-4-2)12(15)13-11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,13,15)
InChIKeyYWTRWOZKZKHNEV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclopentyl-1,1-bis(prop-2-enyl)urea

3-cyclopentyl-1,1-bis(prop-2-enyl)urea (PubChem CID 108902716) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-cyclopentyl-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1,1-bis(prop-2-enyl)urea
PubChem CID108902716
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-cyclopentyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-9-14(10-4-2)12(15)13-11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,13,15)
InChIKeyYWTRWOZKZKHNEV-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
2-[(1,1-dioxothian-3-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285526
3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
CID 127574650
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
1,1-bis(cyanomethyl)-3-cyclopentylurea
CID 116653843
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 1442233

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-cyclopentyl-1,1-bis(prop-2-enyl)urea (CID 108902716) is 3-cyclopentyl-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-cyclopentyl-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-cyclopentyl-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1,1-bis(prop-2-enyl)urea?
The InChIKey is YWTRWOZKZKHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-9-14(10-4-2)12(15)13-11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,13,15).
What are the key properties of 3-cyclopentyl-1,1-bis(prop-2-enyl)urea?
3-cyclopentyl-1,1-bis(prop-2-enyl)urea has a molecular weight of 208.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108902716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).