3-propyl-1H-cyclopenta[b]naphthalene

C16H16 — CID 156638255

IUPAC3-propyl-1H-cyclopenta[b]naphthalene
SMILESCCCC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C16H16/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h3-4,6-8,10-11H,2,5,9H2,1H3
InChIKeyZKQRHNVVOWSXPM-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.58
Rot. Bonds2

About 3-propyl-1H-cyclopenta[b]naphthalene

3-propyl-1H-cyclopenta[b]naphthalene (PubChem CID 156638255) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-propyl-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-propyl-1H-cyclopenta[b]naphthalene
PubChem CID156638255
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3-propyl-1H-cyclopenta[b]naphthalene
SMILESCCCC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C16H16/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h3-4,6-8,10-11H,2,5,9H2,1H3
InChIKeyZKQRHNVVOWSXPM-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane
CID 140905753
dichlorozirconium;3-propyl-1H-indene
CID 175084745
1H-cyclopenta[b]naphthalen-3-ylmethyl acetate
CID 143729639
3-propyl-1H-cyclopenta[a]naphthalene
CID 140856502
3H-2-benzofuran-1-one;3-propyl-1H-indene
CID 175475170
3-butyl-1H-phenalene
CID 174644054
1,2,3,4-tetrapropylanthracene
CID 15504630
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
CID 123755719
1,2-dipropylcyclopenta[b]naphthalen-3-one
CID 10659285
1-propyl-3,4,5,6-tetrahydrochrysene
CID 174923290
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
7-methyl-4-propyl-1,2-dihydronaphthalene
CID 145183913

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1H-cyclopenta[b]naphthalene?
The IUPAC name of 3-propyl-1H-cyclopenta[b]naphthalene (CID 156638255) is 3-propyl-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-propyl-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-propyl-1H-cyclopenta[b]naphthalene is CCCC1=CCc2cc3ccccc3cc21.
What is the InChIKey of 3-propyl-1H-cyclopenta[b]naphthalene?
The InChIKey is ZKQRHNVVOWSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h3-4,6-8,10-11H,2,5,9H2,1H3.
What are the key properties of 3-propyl-1H-cyclopenta[b]naphthalene?
3-propyl-1H-cyclopenta[b]naphthalene has a molecular weight of 208.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 156638255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).