N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine

C13H14N2O — CID 174537778

IUPACN-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine
SMILESON=CC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O/c16-14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-4,8-9,15-16H,5-7H2
InChIKeyJUESOQCKKDNQMW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.73
Rot. Bonds1

About N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine

N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine (PubChem CID 174537778) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine
PubChem CID174537778
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine
SMILESON=CC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O/c16-14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-4,8-9,15-16H,5-7H2
InChIKeyJUESOQCKKDNQMW-UHFFFAOYSA-N
XLogP2.73
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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

(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 168939672
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine?
The IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine (CID 174537778) is N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine is ON=CC1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine?
The InChIKey is JUESOQCKKDNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-4,8-9,15-16H,5-7H2.
What are the key properties of N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine?
N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine has a molecular weight of 214.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 174537778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).