4-cyclopropylidene-2,3-dihydro-1H-naphthalene

C13H14 — CID 71426688

IUPAC4-cyclopropylidene-2,3-dihydro-1H-naphthalene
SMILESc1ccc2c(c1)CCCC2=C1CC1
InChIInChI=1S/C13H14/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-9-11/h1-2,4,6H,3,5,7-9H2
InChIKeyXTMDIKNALSILQX-UHFFFAOYSA-N
MW170.26 g/mol
LogP3.57
Rot. Bonds

About 4-cyclopropylidene-2,3-dihydro-1H-naphthalene

4-cyclopropylidene-2,3-dihydro-1H-naphthalene (PubChem CID 71426688) has the molecular formula C13H14 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-cyclopropylidene-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-cyclopropylidene-2,3-dihydro-1H-naphthalene
PubChem CID71426688
Molecular FormulaC13H14
Molecular Weight170.26 g/mol
Exact Mass170.11
IUPAC Name4-cyclopropylidene-2,3-dihydro-1H-naphthalene
SMILESc1ccc2c(c1)CCCC2=C1CC1
InChIInChI=1S/C13H14/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-9-11/h1-2,4,6H,3,5,7-9H2
InChIKeyXTMDIKNALSILQX-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-cyclopropylidene-2,3-dihydro-1H-naphthalene (CID 71426688) is 4-cyclopropylidene-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-cyclopropylidene-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-cyclopropylidene-2,3-dihydro-1H-naphthalene is c1ccc2c(c1)CCCC2=C1CC1.
What is the InChIKey of 4-cyclopropylidene-2,3-dihydro-1H-naphthalene?
The InChIKey is XTMDIKNALSILQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-9-11/h1-2,4,6H,3,5,7-9H2.
What are the key properties of 4-cyclopropylidene-2,3-dihydro-1H-naphthalene?
4-cyclopropylidene-2,3-dihydro-1H-naphthalene has a molecular weight of 170.26 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 71426688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).