N-(3-prop-1-ynylcyclobutyl)prop-2-enamide

C10H13NO — CID 166968904

IUPACN-(3-prop-1-ynylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C#CC)C1
InChIInChI=1S/C10H13NO/c1-3-5-8-6-9(7-8)11-10(12)4-2/h4,8-9H,2,6-7H2,1H3,(H,11,12)
InChIKeyDRGFHNKMXZSTDR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.09
Rot. Bonds2

About N-(3-prop-1-ynylcyclobutyl)prop-2-enamide

N-(3-prop-1-ynylcyclobutyl)prop-2-enamide (PubChem CID 166968904) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(3-prop-1-ynylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-prop-1-ynylcyclobutyl)prop-2-enamide
PubChem CID166968904
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(3-prop-1-ynylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C#CC)C1
InChIInChI=1S/C10H13NO/c1-3-5-8-6-9(7-8)11-10(12)4-2/h4,8-9H,2,6-7H2,1H3,(H,11,12)
InChIKeyDRGFHNKMXZSTDR-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-sulfanylcyclobutyl)prop-2-enamide
CID 135183488
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide
CID 146531618
N-cyclodecylprop-2-enamide
CID 18400354
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131
N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
CID 164736276
N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
1-(4-prop-1-ynylpiperidin-1-yl)prop-2-en-1-one
CID 176702191
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-(2-methyl-1,1-dioxothian-4-yl)prop-2-enamide
CID 139020035

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-1-ynylcyclobutyl)prop-2-enamide?
The IUPAC name of N-(3-prop-1-ynylcyclobutyl)prop-2-enamide (CID 166968904) is N-(3-prop-1-ynylcyclobutyl)prop-2-enamide.
What is the SMILES notation for N-(3-prop-1-ynylcyclobutyl)prop-2-enamide?
The canonical SMILES for N-(3-prop-1-ynylcyclobutyl)prop-2-enamide is C=CC(=O)NC1CC(C#CC)C1.
What is the InChIKey of N-(3-prop-1-ynylcyclobutyl)prop-2-enamide?
The InChIKey is DRGFHNKMXZSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-8-6-9(7-8)11-10(12)4-2/h4,8-9H,2,6-7H2,1H3,(H,11,12).
What are the key properties of N-(3-prop-1-ynylcyclobutyl)prop-2-enamide?
N-(3-prop-1-ynylcyclobutyl)prop-2-enamide has a molecular weight of 163.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-1-ynylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 166968904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).