3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol

C15H17ClN2O — CID 3815118

IUPAC3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol
SMILESOCCC/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H17ClN2O/c16-10-5-6-13-12(9-10)11-3-1-4-14(15(11)18-13)17-7-2-8-19/h5-6,9,18-19H,1-4,7-8H2/b17-14+
InChIKeyYWBQHOYTDQRWCP-SAPNQHFASA-N
MW276.77 g/mol
LogP3.33
Rot. Bonds3

About 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol

3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol (PubChem CID 3815118) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol
PubChem CID3815118
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol
SMILESOCCC/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H17ClN2O/c16-10-5-6-13-12(9-10)11-3-1-4-14(15(11)18-13)17-7-2-8-19/h5-6,9,18-19H,1-4,7-8H2/b17-14+
InChIKeyYWBQHOYTDQRWCP-SAPNQHFASA-N
XLogP3.33
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol (CID 3815118) is 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol is OCCC/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol?
The InChIKey is YWBQHOYTDQRWCP-SAPNQHFASA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-10-5-6-13-12(9-10)11-3-1-4-14(15(11)18-13)17-7-2-8-19/h5-6,9,18-19H,1-4,7-8H2/b17-14+.
What are the key properties of 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol?
3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol has a molecular weight of 276.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]propan-1-ol is sourced from PubChem (CID 3815118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).