N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine

C14H15ClN2O — CID 754614

IUPACN-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
SMILESCCn1c2c(c3cc(Cl)ccc31)CCCC2=NO
InChIInChI=1S/C14H15ClN2O/c1-2-17-13-7-6-9(15)8-11(13)10-4-3-5-12(16-18)14(10)17/h6-8,18H,2-5H2,1H3
InChIKeyUXYUUVBMILMMFL-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.83
Rot. Bonds1

About N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine

N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine (PubChem CID 754614) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
PubChem CID754614
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
SMILESCCn1c2c(c3cc(Cl)ccc31)CCCC2=NO
InChIInChI=1S/C14H15ClN2O/c1-2-17-13-7-6-9(15)8-11(13)10-4-3-5-12(16-18)14(10)17/h6-8,18H,2-5H2,1H3
InChIKeyUXYUUVBMILMMFL-UHFFFAOYSA-N
XLogP3.83
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.83
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_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-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The IUPAC name of N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine (CID 754614) is N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The canonical SMILES for N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine is CCn1c2c(c3cc(Cl)ccc31)CCCC2=NO.
What is the InChIKey of N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The InChIKey is UXYUUVBMILMMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-17-13-7-6-9(15)8-11(13)10-4-3-5-12(16-18)14(10)17/h6-8,18H,2-5H2,1H3.
What are the key properties of N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine has a molecular weight of 262.74 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine is sourced from PubChem (CID 754614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).