N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide

C12H19NO2 — CID 114630540

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CC=CC1
InChIInChI=1S/C12H19NO2/c1-12(2)9(7-10(12)14)13-11(15)8-5-3-4-6-8/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyUCYPFEJUADGHRS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.23
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide (PubChem CID 114630540) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
PubChem CID114630540
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CC=CC1
InChIInChI=1S/C12H19NO2/c1-12(2)9(7-10(12)14)13-11(15)8-5-3-4-6-8/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyUCYPFEJUADGHRS-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
CID 129345421
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
CID 114628859
(E)-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4-oxobut-2-enoic acid
CID 114628868
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 107570804

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide (CID 114630540) is N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide is CC1(C)C(O)CC1NC(=O)C1CC=CC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is UCYPFEJUADGHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)9(7-10(12)14)13-11(15)8-5-3-4-6-8/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 114630540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).