N-(3-propan-2-ylcyclobutyl)but-2-ynamide

C11H17NO — CID 131038848

IUPACN-(3-propan-2-ylcyclobutyl)but-2-ynamide
SMILESCC#CC(=O)NC1CC(C(C)C)C1
InChIInChI=1S/C11H17NO/c1-4-5-11(13)12-10-6-9(7-10)8(2)3/h8-10H,6-7H2,1-3H3,(H,12,13)
InChIKeySBXYEWTVYPWQRQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds2

About N-(3-propan-2-ylcyclobutyl)but-2-ynamide

N-(3-propan-2-ylcyclobutyl)but-2-ynamide (PubChem CID 131038848) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclobutyl)but-2-ynamide.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclobutyl)but-2-ynamide
PubChem CID131038848
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(3-propan-2-ylcyclobutyl)but-2-ynamide
SMILESCC#CC(=O)NC1CC(C(C)C)C1
InChIInChI=1S/C11H17NO/c1-4-5-11(13)12-10-6-9(7-10)8(2)3/h8-10H,6-7H2,1-3H3,(H,12,13)
InChIKeySBXYEWTVYPWQRQ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclobutyl)but-2-ynamide?
The IUPAC name of N-(3-propan-2-ylcyclobutyl)but-2-ynamide (CID 131038848) is N-(3-propan-2-ylcyclobutyl)but-2-ynamide.
What is the SMILES notation for N-(3-propan-2-ylcyclobutyl)but-2-ynamide?
The canonical SMILES for N-(3-propan-2-ylcyclobutyl)but-2-ynamide is CC#CC(=O)NC1CC(C(C)C)C1.
What is the InChIKey of N-(3-propan-2-ylcyclobutyl)but-2-ynamide?
The InChIKey is SBXYEWTVYPWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-11(13)12-10-6-9(7-10)8(2)3/h8-10H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-(3-propan-2-ylcyclobutyl)but-2-ynamide?
N-(3-propan-2-ylcyclobutyl)but-2-ynamide has a molecular weight of 179.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclobutyl)but-2-ynamide is sourced from PubChem (CID 131038848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).