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

C17H14N2O3 — CID 135478084

IUPAC[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
SMILESO=C(O/N=C1\CCCc2c1[nH]c1ccccc21)c1ccco1
InChIInChI=1S/C17H14N2O3/c20-17(15-9-4-10-21-15)22-19-14-8-3-6-12-11-5-1-2-7-13(11)18-16(12)14/h1-2,4-5,7,9-10,18H,3,6,8H2/b19-14+
InChIKeyPWXIMPXOMKIZHQ-XMHGGMMESA-N
MW294.31 g/mol
LogP3.66
Rot. Bonds2

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

[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate (PubChem CID 135478084) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate.

Molecular Properties

Compound Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
PubChem CID135478084
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
SMILESO=C(O/N=C1\CCCc2c1[nH]c1ccccc21)c1ccco1
InChIInChI=1S/C17H14N2O3/c20-17(15-9-4-10-21-15)22-19-14-8-3-6-12-11-5-1-2-7-13(11)18-16(12)14/h1-2,4-5,7,9-10,18H,3,6,8H2/b19-14+
InChIKeyPWXIMPXOMKIZHQ-XMHGGMMESA-N
XLogP3.66
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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] cyclohexanecarboxylate
CID 135478085
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
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
[(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
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
CID 686232
[1'-(dimethylamino)-1'-phenylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-cyclohexane]-2-yl]-(furan-2-yl)methanone
CID 59803789
cyclopentyl furan-2-carboxylate
CID 565207

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate?
The IUPAC name of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate (CID 135478084) is [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate.
What is the SMILES notation for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate?
The canonical SMILES for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate is O=C(O/N=C1\CCCc2c1[nH]c1ccccc21)c1ccco1.
What is the InChIKey of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate?
The InChIKey is PWXIMPXOMKIZHQ-XMHGGMMESA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(15-9-4-10-21-15)22-19-14-8-3-6-12-11-5-1-2-7-13(11)18-16(12)14/h1-2,4-5,7,9-10,18H,3,6,8H2/b19-14+.
What are the key properties of [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate?
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate is sourced from PubChem (CID 135478084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).