N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide

C10H16N2O — CID 130591418

IUPACN-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide
SMILESCC#CCNC(=O)C1(NC)CCC1
InChIInChI=1S/C10H16N2O/c1-3-4-8-12-9(13)10(11-2)6-5-7-10/h11H,5-8H2,1-2H3,(H,12,13)
InChIKeyKKNVPXKNSVERRC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds3

About N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide

N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide (PubChem CID 130591418) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide
PubChem CID130591418
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide
SMILESCC#CCNC(=O)C1(NC)CCC1
InChIInChI=1S/C10H16N2O/c1-3-4-8-12-9(13)10(11-2)6-5-7-10/h11H,5-8H2,1-2H3,(H,12,13)
InChIKeyKKNVPXKNSVERRC-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)cyclobutane-1-carbonyl chloride
CID 139476856
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 144653183
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
1-but-2-ynyl-3-propan-2-ylurea
CID 115865637
N-but-2-ynyl-2,2,2-trifluoroacetamide
CID 115867465
1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241928
1-(but-2-ynylamino)-2-methylcyclopentane-1-carboxamide
CID 130609454
N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710
2-bromo-N-but-2-ynyl-2-methylpropanamide
CID 114329133
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[1-(methylamino)cyclopentyl]prop-2-en-1-one
CID 130573811

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide?
The IUPAC name of N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide (CID 130591418) is N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide is CC#CCNC(=O)C1(NC)CCC1.
What is the InChIKey of N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide?
The InChIKey is KKNVPXKNSVERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-8-12-9(13)10(11-2)6-5-7-10/h11H,5-8H2,1-2H3,(H,12,13).
What are the key properties of N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide?
N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 130591418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).