carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium

C15H11CrNO5 — CID 11056840

IUPACcarbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium
SMILESCC(=[Cr])N1Cc2ccccc2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H11N.5CO.Cr/c1-2-11-7-9-5-3-4-6-10(9)8-11;5*1-2;/h3-6H,7-8H2,1H3;;;;;;
InChIKeyRCLAZLYHWBSCOX-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.51
Rot. Bonds1

About carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium

carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium (PubChem CID 11056840) has the molecular formula C15H11CrNO5 and a molecular weight of 337.25 g/mol. Its IUPAC name is carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium.

Molecular Properties

Compound Namecarbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium
PubChem CID11056840
Molecular FormulaC15H11CrNO5
Molecular Weight337.25 g/mol
Exact Mass337.00
IUPAC Namecarbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium
SMILESCC(=[Cr])N1Cc2ccccc2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H11N.5CO.Cr/c1-2-11-7-9-5-3-4-6-10(9)8-11;5*1-2;/h3-6H,7-8H2,1H3;;;;;;
InChIKeyRCLAZLYHWBSCOX-UHFFFAOYSA-N
XLogP1.51
TPSA102.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dihydroisoindol-2-yl)ethanimine
CID 63173351
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 138509690
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
methyl 1,3-dihydroisoindole-2-carboximidate
CID 119090044
N-propan-2-yl-1,3-dihydroisoindole-2-carbothioamide
CID 115616218
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
1-(1,3-dihydroisoindol-2-yl)propan-1-imine
CID 63176539
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium?
The IUPAC name of carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium (CID 11056840) is carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium.
What is the SMILES notation for carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium?
The canonical SMILES for carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium is CC(=[Cr])N1Cc2ccccc2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium?
The InChIKey is RCLAZLYHWBSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.5CO.Cr/c1-2-11-7-9-5-3-4-6-10(9)8-11;5*1-2;/h3-6H,7-8H2,1H3;;;;;;.
What are the key properties of carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium?
carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium has a molecular weight of 337.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-(1,3-dihydroisoindol-2-yl)ethylidenechromium is sourced from PubChem (CID 11056840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).