3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea

C10H16N2O — CID 108910247

IUPAC3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC(=C)C
InChIInChI=1S/C10H16N2O/c1-5-7-12(8-6-2)10(13)11-9(3)4/h5-6H,1-3,7-8H2,4H3,(H,11,13)
InChIKeyFRGRSWKCQNFDMI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.90
Rot. Bonds5

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

3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea (PubChem CID 108910247) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
PubChem CID108910247
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC(=C)C
InChIInChI=1S/C10H16N2O/c1-5-7-12(8-6-2)10(13)11-9(3)4/h5-6H,1-3,7-8H2,4H3,(H,11,13)
InChIKeyFRGRSWKCQNFDMI-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.90
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

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CID 43145956
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
N-[2-(dimethylamino)ethyl]-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128686
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea (CID 108910247) is 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC(=C)C.
What is the InChIKey of 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea?
The InChIKey is FRGRSWKCQNFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7-12(8-6-2)10(13)11-9(3)4/h5-6H,1-3,7-8H2,4H3,(H,11,13).
What are the key properties of 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea?
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea has a molecular weight of 180.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108910247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).