1-propan-2-yl-1-prop-2-enyl-3-propylurea

C10H20N2O — CID 115585837

IUPAC1-propan-2-yl-1-prop-2-enyl-3-propylurea
SMILESC=CCN(C(=O)NCCC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-11-10(13)12(8-6-2)9(3)4/h6,9H,2,5,7-8H2,1,3-4H3,(H,11,13)
InChIKeyJOKSPVQUHZODRA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.00
Rot. Bonds5

About 1-propan-2-yl-1-prop-2-enyl-3-propylurea

1-propan-2-yl-1-prop-2-enyl-3-propylurea (PubChem CID 115585837) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-propan-2-yl-1-prop-2-enyl-3-propylurea.

Molecular Properties

Compound Name1-propan-2-yl-1-prop-2-enyl-3-propylurea
PubChem CID115585837
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-propan-2-yl-1-prop-2-enyl-3-propylurea
SMILESC=CCN(C(=O)NCCC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-11-10(13)12(8-6-2)9(3)4/h6,9H,2,5,7-8H2,1,3-4H3,(H,11,13)
InChIKeyJOKSPVQUHZODRA-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.00
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-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
CID 88699422
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
CID 63108031
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1-prop-2-enyl-3-propylurea?
The IUPAC name of 1-propan-2-yl-1-prop-2-enyl-3-propylurea (CID 115585837) is 1-propan-2-yl-1-prop-2-enyl-3-propylurea.
What is the SMILES notation for 1-propan-2-yl-1-prop-2-enyl-3-propylurea?
The canonical SMILES for 1-propan-2-yl-1-prop-2-enyl-3-propylurea is C=CCN(C(=O)NCCC)C(C)C.
What is the InChIKey of 1-propan-2-yl-1-prop-2-enyl-3-propylurea?
The InChIKey is JOKSPVQUHZODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-11-10(13)12(8-6-2)9(3)4/h6,9H,2,5,7-8H2,1,3-4H3,(H,11,13).
What are the key properties of 1-propan-2-yl-1-prop-2-enyl-3-propylurea?
1-propan-2-yl-1-prop-2-enyl-3-propylurea has a molecular weight of 184.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-prop-2-enyl-3-propylurea is sourced from PubChem (CID 115585837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).