1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide

C11H17NO — CID 131201588

IUPAC1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1(C)CCC1
InChIInChI=1S/C11H17NO/c1-4-6-9(2)12-10(13)11(3)7-5-8-11/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyRWSBDPSZPMDLTE-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide

1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide (PubChem CID 131201588) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
PubChem CID131201588
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1(C)CCC1
InChIInChI=1S/C11H17NO/c1-4-6-9(2)12-10(13)11(3)7-5-8-11/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyRWSBDPSZPMDLTE-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
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 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide (CID 131201588) is 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide is C#CCC(C)NC(=O)C1(C)CCC1.
What is the InChIKey of 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide?
The InChIKey is RWSBDPSZPMDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-9(2)12-10(13)11(3)7-5-8-11/h1,9H,5-8H2,2-3H3,(H,12,13).
What are the key properties of 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide?
1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 131201588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).