N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine

C18H17NO — CID 173488881

IUPACN-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
SMILESON=C(/C=C/c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO/c20-19-18(12-9-14-5-2-1-3-6-14)17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,9-13,20H,4,7-8H2/b12-9+,19-18?
InChIKeyCELJYYSEYSAPJA-MASWYUCRSA-N
MW263.34 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine

N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine (PubChem CID 173488881) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
PubChem CID173488881
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
SMILESON=C(/C=C/c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO/c20-19-18(12-9-14-5-2-1-3-6-14)17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,9-13,20H,4,7-8H2/b12-9+,19-18?
InChIKeyCELJYYSEYSAPJA-MASWYUCRSA-N
XLogP4.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
4-[(E)-3-(2,3-dihydro-1H-inden-5-yl)-3-oxoprop-1-enyl]benzoic acid
CID 8832153
(E)-3-(4-hydroxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one
CID 27111136
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
CID 6199583
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
2-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N-phenylacetamide
CID 47406539
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine?
The IUPAC name of N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine (CID 173488881) is N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine?
The canonical SMILES for N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine is ON=C(/C=C/c1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine?
The InChIKey is CELJYYSEYSAPJA-MASWYUCRSA-N. The full InChI is InChI=1S/C18H17NO/c20-19-18(12-9-14-5-2-1-3-6-14)17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,9-13,20H,4,7-8H2/b12-9+,19-18?.
What are the key properties of N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine?
N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine has a molecular weight of 263.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 173488881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).