1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene

C22H26O — CID 177209632

IUPAC1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
SMILESC=C/C=c1/oc2ccccc2c1=C.C=CC.CC1=CC=CCC1
InChIInChI=1S/C12H10O.C7H10.C3H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-7-5-3-2-4-6-7;1-3-2/h3-8H,1-2H2;2-3,5H,4,6H2,1H3;3H,1H2,2H3/b11-6+;;
InChIKeyJSVQRYOONHDIQH-QVLKBJGCSA-N
MW306.45 g/mol
LogP5.28
Rot. Bonds1

About 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene

1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene (PubChem CID 177209632) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene.

Molecular Properties

Compound Name1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
PubChem CID177209632
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
SMILESC=C/C=c1/oc2ccccc2c1=C.C=CC.CC1=CC=CCC1
InChIInChI=1S/C12H10O.C7H10.C3H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-7-5-3-2-4-6-7;1-3-2/h3-8H,1-2H2;2-3,5H,4,6H2,1H3;3H,1H2,2H3/b11-6+;;
InChIKeyJSVQRYOONHDIQH-QVLKBJGCSA-N
XLogP5.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
CID 144886948
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
CID 142109004
4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
CID 123980732
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891
1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
CID 143157763
(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120171
1-(trideuteriomethyl)cyclohexa-1,3-diene
CID 154587869

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene?
The IUPAC name of 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene (CID 177209632) is 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene.
What is the SMILES notation for 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene?
The canonical SMILES for 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene is C=C/C=c1/oc2ccccc2c1=C.C=CC.CC1=CC=CCC1.
What is the InChIKey of 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene?
The InChIKey is JSVQRYOONHDIQH-QVLKBJGCSA-N. The full InChI is InChI=1S/C12H10O.C7H10.C3H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-7-5-3-2-4-6-7;1-3-2/h3-8H,1-2H2;2-3,5H,4,6H2,1H3;3H,1H2,2H3/b11-6+;;.
What are the key properties of 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene?
1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene has a molecular weight of 306.45 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene is sourced from PubChem (CID 177209632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).