N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide

C9H15NO2 — CID 114629305

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-4-8(12)10-6-5-7(11)9(6,2)3/h4,6-7,11H,1,5H2,2-3H3,(H,10,12)
InChIKeyLMZKKAGXUMFOSS-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide (PubChem CID 114629305) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
PubChem CID114629305
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-4-8(12)10-6-5-7(11)9(6,2)3/h4,6-7,11H,1,5H2,2-3H3,(H,10,12)
InChIKeyLMZKKAGXUMFOSS-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4-oxobut-2-enoic acid
CID 114628868
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
N-(4,4-dimethyloxolan-3-yl)prop-2-enamide
CID 130640588
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
CID 114630540
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
CID 129345421
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide (CID 114629305) is N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide is C=CC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The InChIKey is LMZKKAGXUMFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8(12)10-6-5-7(11)9(6,2)3/h4,6-7,11H,1,5H2,2-3H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.45, 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)prop-2-enamide is sourced from PubChem (CID 114629305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).