1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide

C11H18N2O — CID 130609454

IUPAC1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide
SMILESCC#CCNC1(C(N)=O)CCCC1C
InChIInChI=1S/C11H18N2O/c1-3-4-8-13-11(10(12)14)7-5-6-9(11)2/h9,13H,5-8H2,1-2H3,(H2,12,14)
InChIKeyCODJGOMHEVDRSA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds3

About 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide

1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide (PubChem CID 130609454) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide
PubChem CID130609454
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide
SMILESCC#CCNC1(C(N)=O)CCCC1C
InChIInChI=1S/C11H18N2O/c1-3-4-8-13-11(10(12)14)7-5-6-9(11)2/h9,13H,5-8H2,1-2H3,(H2,12,14)
InChIKeyCODJGOMHEVDRSA-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide (CID 130609454) is 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide is CC#CCNC1(C(N)=O)CCCC1C.
What is the InChIKey of 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide?
The InChIKey is CODJGOMHEVDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-13-11(10(12)14)7-5-6-9(11)2/h9,13H,5-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide?
1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 130609454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).