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

C10H18N2O — CID 115886800

IUPAC1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC(C)C)C1CC1
InChIInChI=1S/C10H18N2O/c1-4-7-12(9-5-6-9)10(13)11-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyYHDHOZUSSVYIGZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds4

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

1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea (PubChem CID 115886800) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea
PubChem CID115886800
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC(C)C)C1CC1
InChIInChI=1S/C10H18N2O/c1-4-7-12(9-5-6-9)10(13)11-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyYHDHOZUSSVYIGZ-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
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

(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828637
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea
CID 102874287
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
CID 107316106
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
CID 116657097

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea?
The IUPAC name of 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea (CID 115886800) is 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea.
What is the SMILES notation for 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea?
The canonical SMILES for 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea is C=CCN(C(=O)NC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea?
The InChIKey is YHDHOZUSSVYIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-7-12(9-5-6-9)10(13)11-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea?
1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea has a molecular weight of 182.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea is sourced from PubChem (CID 115886800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).