carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)

C12H12ClNOV — CID 166553996

IUPACcarbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)
SMILESCn1cc(C[C-]=O)c2ccc(Cl)cc21.[CH3-].[V+2]
InChIInChI=1S/C11H9ClNO.CH3.V/c1-13-7-8(4-5-14)10-3-2-9(12)6-11(10)13;;/h2-3,6-7H,4H2,1H3;1H3;/q2*-1;+2
InChIKeyBTSMYCIQSLLEKQ-UHFFFAOYSA-N
MW272.63 g/mol
LogP2.93
Rot. Bonds2

About carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)

carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+) (PubChem CID 166553996) has the molecular formula C12H12ClNOV and a molecular weight of 272.63 g/mol. Its IUPAC name is carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+).

Molecular Properties

Compound Namecarbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)
PubChem CID166553996
Molecular FormulaC12H12ClNOV
Molecular Weight272.63 g/mol
Exact Mass272.00
IUPAC Namecarbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)
SMILESCn1cc(C[C-]=O)c2ccc(Cl)cc21.[CH3-].[V+2]
InChIInChI=1S/C11H9ClNO.CH3.V/c1-13-7-8(4-5-14)10-3-2-9(12)6-11(10)13;;/h2-3,6-7H,4H2,1H3;1H3;/q2*-1;+2
InChIKeyBTSMYCIQSLLEKQ-UHFFFAOYSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
O-[(6-chloro-1-methylindol-3-yl)methyl]hydroxylamine
CID 117196287
2-(6-chloro-1-methylindol-3-yl)acetonitrile
CID 75355671
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
6-chloro-3-[(4-chlorophenoxy)methyl]-1-methylindole
CID 117178543
6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole
CID 58242497
7-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807847
N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82501552
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)?
The IUPAC name of carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+) (CID 166553996) is carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+).
What is the SMILES notation for carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)?
The canonical SMILES for carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+) is Cn1cc(C[C-]=O)c2ccc(Cl)cc21.[CH3-].[V+2].
What is the InChIKey of carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)?
The InChIKey is BTSMYCIQSLLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClNO.CH3.V/c1-13-7-8(4-5-14)10-3-2-9(12)6-11(10)13;;/h2-3,6-7H,4H2,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)?
carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+) has a molecular weight of 272.63 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+) is sourced from PubChem (CID 166553996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).