2-methyl-N-pent-4-ynyloxolane-3-carboxamide

C11H17NO2 — CID 103894078

IUPAC2-methyl-N-pent-4-ynyloxolane-3-carboxamide
SMILESC#CCCCNC(=O)C1CCOC1C
InChIInChI=1S/C11H17NO2/c1-3-4-5-7-12-11(13)10-6-8-14-9(10)2/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyGHPDJBIDBGYFPF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.94
Rot. Bonds4

About 2-methyl-N-pent-4-ynyloxolane-3-carboxamide

2-methyl-N-pent-4-ynyloxolane-3-carboxamide (PubChem CID 103894078) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-N-pent-4-ynyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pent-4-ynyloxolane-3-carboxamide
PubChem CID103894078
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-N-pent-4-ynyloxolane-3-carboxamide
SMILESC#CCCCNC(=O)C1CCOC1C
InChIInChI=1S/C11H17NO2/c1-3-4-5-7-12-11(13)10-6-8-14-9(10)2/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyGHPDJBIDBGYFPF-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
CID 104971935
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
N-[(4-bromocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106134904
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-4-ynyloxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-pent-4-ynyloxolane-3-carboxamide (CID 103894078) is 2-methyl-N-pent-4-ynyloxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-pent-4-ynyloxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-pent-4-ynyloxolane-3-carboxamide is C#CCCCNC(=O)C1CCOC1C.
What is the InChIKey of 2-methyl-N-pent-4-ynyloxolane-3-carboxamide?
The InChIKey is GHPDJBIDBGYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-7-12-11(13)10-6-8-14-9(10)2/h1,9-10H,4-8H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-pent-4-ynyloxolane-3-carboxamide?
2-methyl-N-pent-4-ynyloxolane-3-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-4-ynyloxolane-3-carboxamide is sourced from PubChem (CID 103894078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).