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

C14H15BrN2O — CID 5399879

IUPAC(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
SMILESCCn1c2c(c3cc(Br)ccc31)CCC/C2=N/O
InChIInChI=1S/C14H15BrN2O/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/b16-12-
InChIKeyCVRPKMBHUHDGNF-VBKFSLOCSA-N
MW307.19 g/mol
LogP3.94
Rot. Bonds1

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

(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine (PubChem CID 5399879) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
PubChem CID5399879
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
SMILESCCn1c2c(c3cc(Br)ccc31)CCC/C2=N/O
InChIInChI=1S/C14H15BrN2O/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/b16-12-
InChIKeyCVRPKMBHUHDGNF-VBKFSLOCSA-N
XLogP3.94
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.94
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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Related Compounds

N-(6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
CID 754614
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
CID 768661
7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 59267735
6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one
CID 143235078
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
CID 101222703
3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 68882263
6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 11544068
4-acetyl-6-bromo-1-ethylquinolin-2-one
CID 134910530
2-(6-bromo-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)acetic acid
CID 11659807
6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
CID 11632677
2-[6-bromo-9-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]butanoic acid
CID 67866802

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine (CID 5399879) is (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine is CCn1c2c(c3cc(Br)ccc31)CCC/C2=N/O.
What is the InChIKey of (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
The InChIKey is CVRPKMBHUHDGNF-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H15BrN2O/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/b16-12-.
What are the key properties of (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine?
(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine has a molecular weight of 307.19 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine is sourced from PubChem (CID 5399879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).