2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)

C14H16U — CID 58001395

IUPAC2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)
SMILES[CH2-]CC1=C([CH2-])c2c(C)ccc(C)c2C1.[U+2]
InChIInChI=1S/C14H16.U/c1-5-12-8-13-9(2)6-7-10(3)14(13)11(12)4;/h6-7H,1,4-5,8H2,2-3H3;/q-2;+2
InChIKeyKXLAFQGMVNYMDR-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.67
Rot. Bonds1

About 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)

2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+) (PubChem CID 58001395) has the molecular formula C14H16U and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+).

Molecular Properties

Compound Name2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)
PubChem CID58001395
Molecular FormulaC14H16U
Molecular Weight422.31 g/mol
Exact Mass422.18
IUPAC Name2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)
SMILES[CH2-]CC1=C([CH2-])c2c(C)ccc(C)c2C1.[U+2]
InChIInChI=1S/C14H16.U/c1-5-12-8-13-9(2)6-7-10(3)14(13)11(12)4;/h6-7H,1,4-5,8H2,2-3H3;/q-2;+2
InChIKeyKXLAFQGMVNYMDR-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,7-tetramethyl-1H-indene
CID 10942918
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
2-bromo-4,7-dimethyl-1H-indene
CID 58975409
4,7-dimethyl-3H-indol-2-amine
CID 145358846
(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 115014565
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
4-methyl-7-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2,3-dihydro-1H-indene
CID 57157159
dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene
CID 87978513
1,2,7,8-tetramethyl-9H-fluorene
CID 23545247
4,5-dimethyl-9H-fluorene
CID 14389533

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)?
The IUPAC name of 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+) (CID 58001395) is 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+).
What is the SMILES notation for 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)?
The canonical SMILES for 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+) is [CH2-]CC1=C([CH2-])c2c(C)ccc(C)c2C1.[U+2].
What is the InChIKey of 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)?
The InChIKey is KXLAFQGMVNYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.U/c1-5-12-8-13-9(2)6-7-10(3)14(13)11(12)4;/h6-7H,1,4-5,8H2,2-3H3;/q-2;+2.
What are the key properties of 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)?
2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+) has a molecular weight of 422.31 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+) is sourced from PubChem (CID 58001395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).