1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea

C10H18N2O — CID 10012578

IUPAC1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea
SMILESC=CCN(C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O/c1-6-7-12(8-9(2)3)10(13)11(4)5/h6,8H,1,7H2,2-5H3
InChIKeyPIDUYSIHHFUEET-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.08
Rot. Bonds3

About 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea

1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea (PubChem CID 10012578) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea
PubChem CID10012578
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea
SMILESC=CCN(C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O/c1-6-7-12(8-9(2)3)10(13)11(4)5/h6,8H,1,7H2,2-5H3
InChIKeyPIDUYSIHHFUEET-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea?
The IUPAC name of 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea (CID 10012578) is 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea?
The canonical SMILES for 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea is C=CCN(C=C(C)C)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea?
The InChIKey is PIDUYSIHHFUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-7-12(8-9(2)3)10(13)11(4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea?
1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea has a molecular weight of 182.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea is sourced from PubChem (CID 10012578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).