cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid

C15H19NO2 — CID 69014821

IUPACcyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid
SMILESC=CCc1ccc(C)c(CN(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO2/c1-3-4-12-6-5-11(2)13(9-12)10-16(15(17)18)14-7-8-14/h3,5-6,9,14H,1,4,7-8,10H2,2H3,(H,17,18)
InChIKeyGJFIMYGGBAOEHJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.37
Rot. Bonds5

About cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid

cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid (PubChem CID 69014821) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid
PubChem CID69014821
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid
SMILESC=CCc1ccc(C)c(CN(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO2/c1-3-4-12-6-5-11(2)13(9-12)10-16(15(17)18)14-7-8-14/h3,5-6,9,14H,1,4,7-8,10H2,2H3,(H,17,18)
InChIKeyGJFIMYGGBAOEHJ-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.37
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

tert-butyl N-cyclopropyl-N-[(2,3-dichloro-5-prop-2-enylphenyl)methyl]carbamate
CID 66761816
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
tert-butyl N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylphenyl]methyl]carbamate
CID 66896979
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide
CID 78900344
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
N-cyclopropyl-N-[[5-(2-methoxyethyl)-2-methylphenyl]methyl]formamide
CID 143930748
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993002

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid?
The IUPAC name of cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid (CID 69014821) is cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid.
What is the SMILES notation for cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid?
The canonical SMILES for cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid is C=CCc1ccc(C)c(CN(C(=O)O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid?
The InChIKey is GJFIMYGGBAOEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-12-6-5-11(2)13(9-12)10-16(15(17)18)14-7-8-14/h3,5-6,9,14H,1,4,7-8,10H2,2H3,(H,17,18).
What are the key properties of cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid?
cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid has a molecular weight of 245.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2-methyl-5-prop-2-enylphenyl)methyl]carbamic acid is sourced from PubChem (CID 69014821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).