7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide

C20H19NO3 — CID 167499260

IUPAC7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12.NC=O
InChIInChI=1S/C19H16O2.CH3NO/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18;2-1-3/h2-5,8-11,13H,6-7H2,1H3;1H,(H2,2,3)
InChIKeyPKLLITFGMJMNRF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.75
Rot. Bonds2

About 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide

7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide (PubChem CID 167499260) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide.

Molecular Properties

Compound Name7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide
PubChem CID167499260
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12.NC=O
InChIInChI=1S/C19H16O2.CH3NO/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18;2-1-3/h2-5,8-11,13H,6-7H2,1H3;1H,(H2,2,3)
InChIKeyPKLLITFGMJMNRF-UHFFFAOYSA-N
XLogP3.75
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753
trans-(1S,2S)-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]cyclopropane-1-carboxylic acid
CID 167498737
4-(2-methylphenyl)-7-[[(2R)-oxan-2-yl]methoxy]chromen-2-one
CID 172878954
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
4-[methyl-[[4-(2-methylphenyl)-2-oxochromen-7-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 167498673
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
3-methoxy-N-methyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxyprop-2-enamide
CID 175853041
ethyl 2-methyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanoate
CID 167499034
7-[(E)-2-hydroxyethenyl]-4-(2-methylphenyl)chromen-2-one;prop-1-yne
CID 167498907
7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
ethyl 2-[1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidin-3-yl]acetate
CID 151223866
N,N,2-trimethyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]prop-2-enamide
CID 167499207

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide?
The IUPAC name of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide (CID 167499260) is 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide.
What is the SMILES notation for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide?
The canonical SMILES for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide is Cc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12.NC=O.
What is the InChIKey of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide?
The InChIKey is PKLLITFGMJMNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2.CH3NO/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18;2-1-3/h2-5,8-11,13H,6-7H2,1H3;1H,(H2,2,3).
What are the key properties of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide?
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide has a molecular weight of 321.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide is sourced from PubChem (CID 167499260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).