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

C14H14N2O2 — CID 135400453

IUPAC[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
SMILESCC(=O)O/N=C1\CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H14N2O2/c1-9(17)18-16-13-8-4-6-11-10-5-2-3-7-12(10)15-14(11)13/h2-3,5,7,15H,4,6,8H2,1H3/b16-13+
InChIKeyUWMZPNMLGDABCJ-DTQAZKPQSA-N
MW242.28 g/mol
LogP2.77
Rot. Bonds1

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

[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate (PubChem CID 135400453) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate.

Molecular Properties

Compound Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
PubChem CID135400453
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
SMILESCC(=O)O/N=C1\CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H14N2O2/c1-9(17)18-16-13-8-4-6-11-10-5-2-3-7-12(10)15-14(11)13/h2-3,5,7,15H,4,6,8H2,1H3/b16-13+
InChIKeyUWMZPNMLGDABCJ-DTQAZKPQSA-N
XLogP2.77
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.77
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] cyclohexanecarboxylate
CID 135478085
[(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
(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
[(E)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 4-tert-butylbenzoate
CID 135448442
[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate
CID 135954526
(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide
CID 24852329
6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135521804
propan-2-yl 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25223167
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] acetate?
The IUPAC name of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate (CID 135400453) is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate.
What is the SMILES notation for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate?
The canonical SMILES for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate is CC(=O)O/N=C1\CCCc2c1[nH]c1ccccc21.
What is the InChIKey of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate?
The InChIKey is UWMZPNMLGDABCJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)18-16-13-8-4-6-11-10-5-2-3-7-12(10)15-14(11)13/h2-3,5,7,15H,4,6,8H2,1H3/b16-13+.
What are the key properties of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate?
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate has a molecular weight of 242.28 g/mol, XLogP of 2.77, 1 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] acetate is sourced from PubChem (CID 135400453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).