(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine

C12H11ClN2O — CID 135504437

IUPAC(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,14,16H,1-3H2/b15-11+
InChIKeySFQBXMSMBXJAMG-RVDMUPIBSA-N
MW234.69 g/mol
LogP3.34
Rot. Bonds

About (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine

(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine (PubChem CID 135504437) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
PubChem CID135504437
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,14,16H,1-3H2/b15-11+
InChIKeySFQBXMSMBXJAMG-RVDMUPIBSA-N
XLogP3.34
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.34
H-Bond Donors ≤ 52
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': 'oxime_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 (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine (CID 135504437) is (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine is O/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine?
The InChIKey is SFQBXMSMBXJAMG-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,14,16H,1-3H2/b15-11+.
What are the key properties of (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine?
(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine has a molecular weight of 234.69 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine is sourced from PubChem (CID 135504437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).