[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate

C19H22N2O2 — CID 135478085

IUPAC[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C1\CCCc2c1[nH]c1ccccc21)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-19(13-7-2-1-3-8-13)23-21-17-12-6-10-15-14-9-4-5-11-16(14)20-18(15)17/h4-5,9,11,13,20H,1-3,6-8,10,12H2/b21-17+
InChIKeyRUSOMAPXZXCCGO-HEHNFIMWSA-N
MW310.40 g/mol
LogP4.33
Rot. Bonds2

About [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate

[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate (PubChem CID 135478085) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
PubChem CID135478085
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C1\CCCc2c1[nH]c1ccccc21)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-19(13-7-2-1-3-8-13)23-21-17-12-6-10-15-14-9-4-5-11-16(14)20-18(15)17/h4-5,9,11,13,20H,1-3,6-8,10,12H2/b21-17+
InChIKeyRUSOMAPXZXCCGO-HEHNFIMWSA-N
XLogP4.33
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
CID 135478084
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
CID 135849252
N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide
CID 135625915
[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate
CID 135954526
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
(6,7-dihydro-5H-1-benzofuran-4-ylideneamino) cyclopropanecarboxylate
CID 1477741
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
[(E)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 4-tert-butylbenzoate
CID 135448442
(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
CID 686232

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate?
The IUPAC name of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate (CID 135478085) is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate.
What is the SMILES notation for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate?
The canonical SMILES for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate is O=C(O/N=C1\CCCc2c1[nH]c1ccccc21)C1CCCCC1.
What is the InChIKey of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate?
The InChIKey is RUSOMAPXZXCCGO-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(13-7-2-1-3-8-13)23-21-17-12-6-10-15-14-9-4-5-11-16(14)20-18(15)17/h4-5,9,11,13,20H,1-3,6-8,10,12H2/b21-17+.
What are the key properties of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate?
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate has a molecular weight of 310.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate is sourced from PubChem (CID 135478085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).