4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide

C22H18N2O4 — CID 154870964

IUPAC4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide
SMILESC=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H18N2O4/c1-2-20(26)24-21-14-8-4-3-7-13(14)11-16(21)23-22(27)19-12-17(25)15-9-5-6-10-18(15)28-19/h2-10,12,16,21H,1,11H2,(H,23,27)(H,24,26)/t16-,21-/m1/s1
InChIKeySIXHIISGZWBNOB-IIBYNOLFSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds4

About 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide

4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide (PubChem CID 154870964) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide
PubChem CID154870964
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide
SMILESC=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H18N2O4/c1-2-20(26)24-21-14-8-4-3-7-13(14)11-16(21)23-22(27)19-12-17(25)15-9-5-6-10-18(15)28-19/h2-10,12,16,21H,1,11H2,(H,23,27)(H,24,26)/t16-,21-/m1/s1
InChIKeySIXHIISGZWBNOB-IIBYNOLFSA-N
XLogP2.49
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide (CID 154870964) is 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide is C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide?
The InChIKey is SIXHIISGZWBNOB-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-20(26)24-21-14-8-4-3-7-13(14)11-16(21)23-22(27)19-12-17(25)15-9-5-6-10-18(15)28-19/h2-10,12,16,21H,1,11H2,(H,23,27)(H,24,26)/t16-,21-/m1/s1.
What are the key properties of 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide?
4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide is sourced from PubChem (CID 154870964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).