1-propylazulene

C13H14 — CID 10397225

IUPAC1-propylazulene
SMILESCCCc1ccc2cccccc1-2
InChIInChI=1S/C13H14/c1-2-6-11-9-10-12-7-4-3-5-8-13(11)12/h3-5,7-10H,2,6H2,1H3
InChIKeyHYJHGLNFNVGVBH-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.74
Rot. Bonds2

About 1-propylazulene

1-propylazulene (PubChem CID 10397225) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-propylazulene.

Molecular Properties

Compound Name1-propylazulene
PubChem CID10397225
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-propylazulene
SMILESCCCc1ccc2cccccc1-2
InChIInChI=1S/C13H14/c1-2-6-11-9-10-12-7-4-3-5-8-13(11)12/h3-5,7-10H,2,6H2,1H3
InChIKeyHYJHGLNFNVGVBH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

gold;1-pentyl-2-phenylbenzene
CID 174945702
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
[4-(2-propylphenyl)phenyl]boronic acid
CID 141105485
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
azulen-1-ylmethanethiol
CID 90805831
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098

Frequently Asked Questions

What is the IUPAC name of 1-propylazulene?
The IUPAC name of 1-propylazulene (CID 10397225) is 1-propylazulene.
What is the SMILES notation for 1-propylazulene?
The canonical SMILES for 1-propylazulene is CCCc1ccc2cccccc1-2.
What is the InChIKey of 1-propylazulene?
The InChIKey is HYJHGLNFNVGVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-2-6-11-9-10-12-7-4-3-5-8-13(11)12/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-propylazulene?
1-propylazulene has a molecular weight of 170.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazulene is sourced from PubChem (CID 10397225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).