(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine

C12H15N3O — CID 135449189

IUPAC(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2nnc3c(c21)CCCC3
InChIInChI=1S/C12H15N3O/c16-15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-14-10/h16H,1-7H2/b15-11+
InChIKeyTVZHVEVFGFUYLP-RVDMUPIBSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds

About (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine

(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine (PubChem CID 135449189) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
PubChem CID135449189
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2nnc3c(c21)CCCC3
InChIInChI=1S/C12H15N3O/c16-15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-14-10/h16H,1-7H2/b15-11+
InChIKeyTVZHVEVFGFUYLP-RVDMUPIBSA-N
XLogP1.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-Methyl-5-nitroso-2,6,7,8-tetrahydrocinnoline
CID 135449557
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline
CID 255562
N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
CID 608327
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
3,4-Pentamethylene-5,6,7,8-tetrahydrocinnoline
CID 165339889
3-Phenyl-5,6,7,8-tetrahydrocinnoline
CID 15275303
1-(Hydroxyimino)-2,3,4,7,8,9,10-heptahydrobenzo[1,2-c]cinnoline
CID 135473069
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline tetrahydrate
CID 139060405
3-Methyl-5-hydroximino-5,6,7,8-tetrahydrocinnoline
CID 135415729
5-(Hydroxyimino)-3-methyl-6,7,8-trihydrocinnoline
CID 135473068
4,5-Dimethyl-3,6-di(propan-2-yl)pyridazine
CID 58119422
4-Methyl-3,5,6-tri(propan-2-yl)pyridazine
CID 58164679

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine (CID 135449189) is (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine is O/N=C1\CCCc2nnc3c(c21)CCCC3.
What is the InChIKey of (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine?
The InChIKey is TVZHVEVFGFUYLP-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H15N3O/c16-15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-14-10/h16H,1-7H2/b15-11+.
What are the key properties of (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine?
(NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine is sourced from PubChem (CID 135449189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).