(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C11H13NO — CID 82074881

IUPAC(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCCc1ccc2c(c1)/C(=N/O)CC2
InChIInChI=1S/C11H13NO/c1-2-8-3-4-9-5-6-11(12-13)10(9)7-8/h3-4,7,13H,2,5-6H2,1H3/b12-11+
InChIKeyWPERZPSQPMISGT-VAWYXSNFSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds1

About (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine

(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 82074881) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID82074881
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCCc1ccc2c(c1)/C(=N/O)CC2
InChIInChI=1S/C11H13NO/c1-2-8-3-4-9-5-6-11(12-13)10(9)7-8/h3-4,7,13H,2,5-6H2,1H3/b12-11+
InChIKeyWPERZPSQPMISGT-VAWYXSNFSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
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

(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 12699412
(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 91622608
(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
CID 172957517
(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 87785621
7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
CID 82075141
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82076590
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one
CID 19710247
(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 24808609
ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)
CID 145270202
N-(5,6-dihydrocyclopenta[c]pyridin-7-ylidene)hydroxylamine
CID 73297438
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 82074881) is (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine is CCc1ccc2c(c1)/C(=N/O)CC2.
What is the InChIKey of (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is WPERZPSQPMISGT-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-8-3-4-9-5-6-11(12-13)10(9)7-8/h3-4,7,13H,2,5-6H2,1H3/b12-11+.
What are the key properties of (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 82074881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).