3-methyl-1-propan-2-yl-1-prop-2-enylurea

C8H16N2O — CID 115588417

IUPAC3-methyl-1-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC)C(C)C
InChIInChI=1S/C8H16N2O/c1-5-6-10(7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11)
InChIKeyQAFHHKIVNZHXME-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.22
Rot. Bonds3

About 3-methyl-1-propan-2-yl-1-prop-2-enylurea

3-methyl-1-propan-2-yl-1-prop-2-enylurea (PubChem CID 115588417) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1-prop-2-enylurea
PubChem CID115588417
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-methyl-1-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC)C(C)C
InChIInChI=1S/C8H16N2O/c1-5-6-10(7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11)
InChIKeyQAFHHKIVNZHXME-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.22
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-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide
CID 60946878
4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113221979
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
3-methyl-1-prop-2-enyl-1-prop-2-ynylurea
CID 130581248
6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide
CID 65291847
2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209521
(2S)-2-[2-methylpropanoyl(prop-2-enyl)amino]propanoic acid
CID 58153238
1-aminopropan-2-yl(prop-2-enyl)carbamic acid
CID 122620115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1-prop-2-enylurea?
The IUPAC name of 3-methyl-1-propan-2-yl-1-prop-2-enylurea (CID 115588417) is 3-methyl-1-propan-2-yl-1-prop-2-enylurea.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1-prop-2-enylurea?
The canonical SMILES for 3-methyl-1-propan-2-yl-1-prop-2-enylurea is C=CCN(C(=O)NC)C(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yl-1-prop-2-enylurea?
The InChIKey is QAFHHKIVNZHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-6-10(7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11).
What are the key properties of 3-methyl-1-propan-2-yl-1-prop-2-enylurea?
3-methyl-1-propan-2-yl-1-prop-2-enylurea has a molecular weight of 156.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-1-prop-2-enylurea is sourced from PubChem (CID 115588417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).