1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene

C9H12 — CID 143480455

IUPAC1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
SMILESC=C(C)C1=CC=C(C)C1
InChIInChI=1S/C9H12/c1-7(2)9-5-4-8(3)6-9/h4-5H,1,6H2,2-3H3
InChIKeySJRZIKSXDIBJCP-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene

1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene (PubChem CID 143480455) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
PubChem CID143480455
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
SMILESC=C(C)C1=CC=C(C)C1
InChIInChI=1S/C9H12/c1-7(2)9-5-4-8(3)6-9/h4-5H,1,6H2,2-3H3
InChIKeySJRZIKSXDIBJCP-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
CID 172570621
1-iodo-4-methylcyclopenta-1,3-diene
CID 146551117
4-methylcyclopenta-1,3-dien-1-ol
CID 72585144
[3-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,4-dien-1-yl]methanethiol
CID 166805601
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
CID 144513780
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide
CID 166723339
6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine
CID 139469956
(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
CID 123246607
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene (CID 143480455) is 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene is C=C(C)C1=CC=C(C)C1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene?
The InChIKey is SJRZIKSXDIBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7(2)9-5-4-8(3)6-9/h4-5H,1,6H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene?
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 143480455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).