N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide

C19H18N2O3 — CID 122513986

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1Cc2ccccc2C1)NO
InChIInChI=1S/C19H18N2O3/c22-18(21-24)10-9-13-5-3-4-8-17(13)20-19(23)16-11-14-6-1-2-7-15(14)12-16/h1-10,16,24H,11-12H2,(H,20,23)(H,21,22)/b10-9+
InChIKeyCUOLPTXLDCBXOT-MDZDMXLPSA-N
MW322.36 g/mol
LogP2.56
Rot. Bonds4

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 122513986) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID122513986
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1Cc2ccccc2C1)NO
InChIInChI=1S/C19H18N2O3/c22-18(21-24)10-9-13-5-3-4-8-17(13)20-19(23)16-11-14-6-1-2-7-15(14)12-16/h1-10,16,24H,11-12H2,(H,20,23)(H,21,22)/b10-9+
InChIKeyCUOLPTXLDCBXOT-MDZDMXLPSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 122513986) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(/C=C/c1ccccc1NC(=O)C1Cc2ccccc2C1)NO.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is CUOLPTXLDCBXOT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(21-24)10-9-13-5-3-4-8-17(13)20-19(23)16-11-14-6-1-2-7-15(14)12-16/h1-10,16,24H,11-12H2,(H,20,23)(H,21,22)/b10-9+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 122513986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).