(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide

C18H17NO2 — CID 103816948

IUPAC(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H17NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-11,16,18,20H,12H2,(H,19,21)/b11-10+/t16-,18+/m0/s1
InChIKeyYSTBLIPZASTGIN-KTGWGUMDSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds3

About (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide

(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide (PubChem CID 103816948) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
PubChem CID103816948
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H17NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-11,16,18,20H,12H2,(H,19,21)/b11-10+/t16-,18+/m0/s1
InChIKeyYSTBLIPZASTGIN-KTGWGUMDSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 110903601
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103860697
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 110903478
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-hydroxy-3-pyridinyl)prop-2-enamide
CID 110017588
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide
CID 111658785
(E)-3-(5-bromothiophen-2-yl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]prop-2-enamide
CID 103816759
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide (CID 103816948) is (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide?
The InChIKey is YSTBLIPZASTGIN-KTGWGUMDSA-N. The full InChI is InChI=1S/C18H17NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-11,16,18,20H,12H2,(H,19,21)/b11-10+/t16-,18+/m0/s1.
What are the key properties of (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide?
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 103816948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).