N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C13H23NO2 — CID 110887340

IUPACN-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC(C)CO)C1(C)C
InChIInChI=1S/C13H23NO2/c1-8(2)6-10-11(13(10,4)5)12(16)14-9(3)7-15/h6,9-11,15H,7H2,1-5H3,(H,14,16)
InChIKeyISIUROJBPJEENA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.72
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 110887340) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID110887340
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC(C)CO)C1(C)C
InChIInChI=1S/C13H23NO2/c1-8(2)6-10-11(13(10,4)5)12(16)14-9(3)7-15/h6,9-11,15H,7H2,1-5H3,(H,14,16)
InChIKeyISIUROJBPJEENA-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 110887340) is N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NC(C)CO)C1(C)C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ISIUROJBPJEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8(2)6-10-11(13(10,4)5)12(16)14-9(3)7-15/h6,9-11,15H,7H2,1-5H3,(H,14,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110887340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).