(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine

C11H12N2O3 — CID 142095043

IUPAC(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
SMILESCC1(C)Cc2ccc([N+](=O)[O-])cc2/C1=N/O
InChIInChI=1S/C11H12N2O3/c1-11(2)6-7-3-4-8(13(15)16)5-9(7)10(11)12-14/h3-5,14H,6H2,1-2H3/b12-10-
InChIKeyJTHZLQWBDPMKDE-BENRWUELSA-N
MW220.23 g/mol
LogP2.36
Rot. Bonds1

About (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine

(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine (PubChem CID 142095043) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
PubChem CID142095043
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
SMILESCC1(C)Cc2ccc([N+](=O)[O-])cc2/C1=N/O
InChIInChI=1S/C11H12N2O3/c1-11(2)6-7-3-4-8(13(15)16)5-9(7)10(11)12-14/h3-5,14H,6H2,1-2H3/b12-10-
InChIKeyJTHZLQWBDPMKDE-BENRWUELSA-N
XLogP2.36
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

2-methyl-5-nitro-1,3-dihydroinden-2-ol
CID 58734212
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
2,6-dinitro-9H-fluorene
CID 3582885
(2E)-2-(3,3-dimethyl-6-nitro-2H-inden-1-ylidene)acetonitrile
CID 25208578
(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine
CID 23290963
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
3-nitro-9,10-dihydrophenanthrene
CID 614448
(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 88795265
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
CID 3921876

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine (CID 142095043) is (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine is CC1(C)Cc2ccc([N+](=O)[O-])cc2/C1=N/O.
What is the InChIKey of (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine?
The InChIKey is JTHZLQWBDPMKDE-BENRWUELSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2)6-7-3-4-8(13(15)16)5-9(7)10(11)12-14/h3-5,14H,6H2,1-2H3/b12-10-.
What are the key properties of (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine?
(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine has a molecular weight of 220.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine is sourced from PubChem (CID 142095043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).