N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C11H11NO — CID 86657345

IUPACN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC=Cc1cccc2c1CCC2=NO
InChIInChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2
InChIKeyAEZADCLKGKUAPQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.45
Rot. Bonds1

About N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine

N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 86657345) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID86657345
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC NameN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC=Cc1cccc2c1CCC2=NO
InChIInChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2
InChIKeyAEZADCLKGKUAPQ-UHFFFAOYSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.45
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

[(E)-(4-ethenyl-2,3-dihydroinden-1-ylidene)amino] 4-methylbenzenesulfonate
CID 87357979
N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984647
2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 177322497
N-[4-(2-methylsulfonylethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984535
N-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77133271
N-[4-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77020738
N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984542
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
(NE)-N-[4-[(E)-2-[2-(4-cyclohexylsulfonylanilino)pyrimidin-5-yl]ethenyl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 58901858
(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 103410043
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2,2-dimethylhexanenitrile
CID 106712514
N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984565

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 86657345) is N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine is C=Cc1cccc2c1CCC2=NO.
What is the InChIKey of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is AEZADCLKGKUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2.
What are the key properties of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 173.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 86657345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).