2-oxo-N-pent-3-ynylchromene-3-carboxamide

C15H13NO3 — CID 115977302

IUPAC2-oxo-N-pent-3-ynylchromene-3-carboxamide
SMILESCC#CCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13NO3/c1-2-3-6-9-16-14(17)12-10-11-7-4-5-8-13(11)19-15(12)18/h4-5,7-8,10H,6,9H2,1H3,(H,16,17)
InChIKeyGNMIFWOAWOZCRN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.94
Rot. Bonds3

About 2-oxo-N-pent-3-ynylchromene-3-carboxamide

2-oxo-N-pent-3-ynylchromene-3-carboxamide (PubChem CID 115977302) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-oxo-N-pent-3-ynylchromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pent-3-ynylchromene-3-carboxamide
PubChem CID115977302
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-oxo-N-pent-3-ynylchromene-3-carboxamide
SMILESCC#CCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13NO3/c1-2-3-6-9-16-14(17)12-10-11-7-4-5-8-13(11)19-15(12)18/h4-5,7-8,10H,6,9H2,1H3,(H,16,17)
InChIKeyGNMIFWOAWOZCRN-UHFFFAOYSA-N
XLogP1.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
CID 110667582
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pent-3-ynylchromene-3-carboxamide?
The IUPAC name of 2-oxo-N-pent-3-ynylchromene-3-carboxamide (CID 115977302) is 2-oxo-N-pent-3-ynylchromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pent-3-ynylchromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-pent-3-ynylchromene-3-carboxamide is CC#CCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-pent-3-ynylchromene-3-carboxamide?
The InChIKey is GNMIFWOAWOZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-3-6-9-16-14(17)12-10-11-7-4-5-8-13(11)19-15(12)18/h4-5,7-8,10H,6,9H2,1H3,(H,16,17).
What are the key properties of 2-oxo-N-pent-3-ynylchromene-3-carboxamide?
2-oxo-N-pent-3-ynylchromene-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pent-3-ynylchromene-3-carboxamide is sourced from PubChem (CID 115977302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).