1aH-naphtho[1,8a-b]oxirene

C10H8O — CID 71356014

IUPAC1aH-naphtho[1,8a-b]oxirene
SMILESC1=CC2=CC=CC3OC23C=C1
InChIInChI=1S/C10H8O/c1-2-7-10-8(4-1)5-3-6-9(10)11-10/h1-7,9H
InChIKeyYAAQQUGKYWUEPL-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.75
Rot. Bonds

About 1aH-naphtho[1,8a-b]oxirene

1aH-naphtho[1,8a-b]oxirene (PubChem CID 71356014) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 1aH-naphtho[1,8a-b]oxirene.

Molecular Properties

Compound Name1aH-naphtho[1,8a-b]oxirene
PubChem CID71356014
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name1aH-naphtho[1,8a-b]oxirene
SMILESC1=CC2=CC=CC3OC23C=C1
InChIInChI=1S/C10H8O/c1-2-7-10-8(4-1)5-3-6-9(10)11-10/h1-7,9H
InChIKeyYAAQQUGKYWUEPL-UHFFFAOYSA-N
XLogP1.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,8a-dimethyl-1H-naphthalene
CID 142600309
tricyclo[8.5.0.01,5]pentadeca-2,4,6,8,10,12,14-heptaene
CID 154429334
(6Z,8E,10Z,12E)-cyclopenta[12]annulen-3a-ol
CID 173036066
1H-benzo[i]quinoline
CID 131983586
7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylphosphane
CID 141189920
11-(8a-methyl-1H-naphthalen-1-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 147128486
1H-benzo[j]naphthalene
CID 122204342
7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol;titanium
CID 174857221
1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline
CID 162303797
N-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-amine
CID 175236340
1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 22121529
2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol
CID 171617078

Frequently Asked Questions

What is the IUPAC name of 1aH-naphtho[1,8a-b]oxirene?
The IUPAC name of 1aH-naphtho[1,8a-b]oxirene (CID 71356014) is 1aH-naphtho[1,8a-b]oxirene.
What is the SMILES notation for 1aH-naphtho[1,8a-b]oxirene?
The canonical SMILES for 1aH-naphtho[1,8a-b]oxirene is C1=CC2=CC=CC3OC23C=C1.
What is the InChIKey of 1aH-naphtho[1,8a-b]oxirene?
The InChIKey is YAAQQUGKYWUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-7-10-8(4-1)5-3-6-9(10)11-10/h1-7,9H.
What are the key properties of 1aH-naphtho[1,8a-b]oxirene?
1aH-naphtho[1,8a-b]oxirene has a molecular weight of 144.17 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1aH-naphtho[1,8a-b]oxirene is sourced from PubChem (CID 71356014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).