1-propylinden-1-ide

C12H13- — CID 135030487

IUPAC1-propylinden-1-ide
SMILESCCC[c-]1ccc2ccccc21
InChIInChI=1S/C12H13/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h3-4,6-9H,2,5H2,1H3/q-1
InChIKeyIESRBLRFCIFCJM-UHFFFAOYSA-N
MW157.24 g/mol
LogP3.51
Rot. Bonds2

About 1-propylinden-1-ide

1-propylinden-1-ide (PubChem CID 135030487) has the molecular formula C12H13- and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-propylinden-1-ide.

Molecular Properties

Compound Name1-propylinden-1-ide
PubChem CID135030487
Molecular FormulaC12H13-
Molecular Weight157.24 g/mol
Exact Mass157.10
IUPAC Name1-propylinden-1-ide
SMILESCCC[c-]1ccc2ccccc21
InChIInChI=1S/C12H13/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h3-4,6-9H,2,5H2,1H3/q-1
InChIKeyIESRBLRFCIFCJM-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 53.51
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

1-butylinden-1-ide;carbanide;hafnium
CID 175086172
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611
1-ethylinden-1-ide;hafnium;dihydrochloride
CID 174700662
hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide
CID 175279371
1-benzylinden-1-ide;hafnium;dihydrochloride
CID 174711380
sodium 1-methylinden-1-ide
CID 175318654
butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407
bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
CID 173246925
2,2-dimethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 172744251
1-(1H-inden-1-id-2-ylmethyl)inden-1-ide;zirconium(4+);dichloride
CID 87862083

Frequently Asked Questions

What is the IUPAC name of 1-propylinden-1-ide?
The IUPAC name of 1-propylinden-1-ide (CID 135030487) is 1-propylinden-1-ide.
What is the SMILES notation for 1-propylinden-1-ide?
The canonical SMILES for 1-propylinden-1-ide is CCC[c-]1ccc2ccccc21.
What is the InChIKey of 1-propylinden-1-ide?
The InChIKey is IESRBLRFCIFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13/c1-2-5-10-8-9-11-6-3-4-7-12(10)11/h3-4,6-9H,2,5H2,1H3/q-1.
What are the key properties of 1-propylinden-1-ide?
1-propylinden-1-ide has a molecular weight of 157.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylinden-1-ide is sourced from PubChem (CID 135030487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).