N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C18H18N4O — CID 135601205

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C18H18N4O/c23-18(22-20-11-12-5-4-10-19-12)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3-5,7-8,10-11,19,21H,1-2,6,9H2,(H,22,23)/b20-11+
InChIKeyRYSKBNZCTRSGNP-RGVLZGJSSA-N
MW306.37 g/mol
LogP3.14
Rot. Bonds3

About N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 135601205) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID135601205
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C18H18N4O/c23-18(22-20-11-12-5-4-10-19-12)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3-5,7-8,10-11,19,21H,1-2,6,9H2,(H,22,23)/b20-11+
InChIKeyRYSKBNZCTRSGNP-RGVLZGJSSA-N
XLogP3.14
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 135601205) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is RYSKBNZCTRSGNP-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(22-20-11-12-5-4-10-19-12)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3-5,7-8,10-11,19,21H,1-2,6,9H2,(H,22,23)/b20-11+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 135601205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).