(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one

C14H18O — CID 134993389

IUPAC(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one
SMILESCCC[C@@H]1CC(=O)C2(C)C=CC=CC=C12
InChIInChI=1S/C14H18O/c1-3-7-11-10-13(15)14(2)9-6-4-5-8-12(11)14/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-,14?/m1/s1
InChIKeyNEBDTKFKRDVSTI-YNODCEANSA-N
MW202.30 g/mol
LogP3.43
Rot. Bonds2

About (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one

(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one (PubChem CID 134993389) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one.

Molecular Properties

Compound Name(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one
PubChem CID134993389
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one
SMILESCCC[C@@H]1CC(=O)C2(C)C=CC=CC=C12
InChIInChI=1S/C14H18O/c1-3-7-11-10-13(15)14(2)9-6-4-5-8-12(11)14/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-,14?/m1/s1
InChIKeyNEBDTKFKRDVSTI-YNODCEANSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,8aS)-3-ethyl-8a-methyl-2,3-dihydroazulen-1-one
CID 100934443
6-propylbicyclo[3.1.0]hexan-3-one
CID 72536529
7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136963
1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one
CID 143719964
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
(6R)-1-methyl-6-propylcyclohexa-1,3-diene
CID 163989420
ethane;3-propyloxolane-2,5-dione
CID 143734634
1-ethyl-6-propylcyclohexa-1,3-diene
CID 91233524
(4S,8R,9S,10R,13S,14S)-10,13-dimethyl-4-propyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 11141567
(3'aS,4'S,6'R)-4',6'-dipropylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3aH-indene]-5'-one
CID 177438397
2-methyl-6-propylcyclohex-2-en-1-one
CID 21186823
3-propyl-3,4-dihydro-1H-pyridin-2-one
CID 46210202

Frequently Asked Questions

What is the IUPAC name of (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one?
The IUPAC name of (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one (CID 134993389) is (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one.
What is the SMILES notation for (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one?
The canonical SMILES for (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one is CCC[C@@H]1CC(=O)C2(C)C=CC=CC=C12.
What is the InChIKey of (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one?
The InChIKey is NEBDTKFKRDVSTI-YNODCEANSA-N. The full InChI is InChI=1S/C14H18O/c1-3-7-11-10-13(15)14(2)9-6-4-5-8-12(11)14/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one?
(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one is sourced from PubChem (CID 134993389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).