(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine

C12H11FN2O — CID 136780625

IUPAC(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C12H11FN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,14,16H,1-3H2/b15-11+
InChIKeyUBDNOZUFIFEYOX-RVDMUPIBSA-N
MW218.23 g/mol
LogP2.82
Rot. Bonds

About (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine

(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine (PubChem CID 136780625) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine
PubChem CID136780625
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C12H11FN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,14,16H,1-3H2/b15-11+
InChIKeyUBDNOZUFIFEYOX-RVDMUPIBSA-N
XLogP2.82
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
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

6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
CID 71101672
(2R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 86330440
(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
CID 135504437
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
CID 65332914
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
(3S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 97104269

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine (CID 136780625) is (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine is O/N=C1\CCCc2[nH]c3ccc(F)cc3c21.
What is the InChIKey of (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine?
The InChIKey is UBDNOZUFIFEYOX-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,14,16H,1-3H2/b15-11+.
What are the key properties of (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine?
(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine has a molecular weight of 218.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 136780625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).