8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde

C13H14N2O — CID 146605589

IUPAC8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
SMILESNC1CCCc2c1[nH]c1ccc(C=O)cc21
InChIInChI=1S/C13H14N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-7,11,15H,1-3,14H2
InChIKeyPVWMHKKSTSOLBQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.32
Rot. Bonds1

About 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde

8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde (PubChem CID 146605589) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
PubChem CID146605589
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
SMILESNC1CCCc2c1[nH]c1ccc(C=O)cc21
InChIInChI=1S/C13H14N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-7,11,15H,1-3,14H2
InChIKeyPVWMHKKSTSOLBQ-UHFFFAOYSA-N
XLogP2.32
TPSA58.88 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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 71738002
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 142652454
(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol
CID 153493829
6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 137385078
9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
CID 134556464
5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridine-9-carbaldehyde
CID 88906133
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 23559459
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
N-[(1S)-6-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
CID 755453
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756

Frequently Asked Questions

What is the IUPAC name of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde?
The IUPAC name of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde (CID 146605589) is 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde.
What is the SMILES notation for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde?
The canonical SMILES for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde is NC1CCCc2c1[nH]c1ccc(C=O)cc21.
What is the InChIKey of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde?
The InChIKey is PVWMHKKSTSOLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-7,11,15H,1-3,14H2.
What are the key properties of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde?
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde is sourced from PubChem (CID 146605589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).