7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane

C13H20 — CID 123558636

IUPAC7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane
SMILESC=CC1C(C2(C)CC2)CCC12CC2
InChIInChI=1S/C13H20/c1-3-10-11(12(2)6-7-12)4-5-13(10)8-9-13/h3,10-11H,1,4-9H2,2H3
InChIKeyZICMTXPAUBFTLY-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds2

About 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane

7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane (PubChem CID 123558636) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane.

Molecular Properties

Compound Name7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane
PubChem CID123558636
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane
SMILESC=CC1C(C2(C)CC2)CCC12CC2
InChIInChI=1S/C13H20/c1-3-10-11(12(2)6-7-12)4-5-13(10)8-9-13/h3,10-11H,1,4-9H2,2H3
InChIKeyZICMTXPAUBFTLY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dimethyl-6-methylenespiro(2.4)heptane
CID 556472
1,2,4,5-Tetramethyl-6-methylenespiro[2.4]heptane
CID 564673
1-Ethenyl-3-ethyl-2-methylcyclopentane
CID 557248
[2-(Cyclopropylmethyl)-2-prop-2-enylpent-4-enyl]cyclopropane
CID 12035306
magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide
CID 134859382
1,1-Dimethyl-2-pent-4-enylcyclopropane
CID 134864601
13-Methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane
CID 134889456
trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane
CID 135014432
trans-(3S,4R)-3-but-3-enyl-4-ethenyl-1,1-dimethylcyclopentane
CID 135039561
Spiro[2.4]heptane, 1-ethenyl-5-(1-propenylidene)-
CID 571670
trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane
CID 10375333
2-Cyclopropyl-2-methylspiro[2.4]hept-6-ene
CID 10419341

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane?
The IUPAC name of 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane (CID 123558636) is 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane.
What is the SMILES notation for 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane?
The canonical SMILES for 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane is C=CC1C(C2(C)CC2)CCC12CC2.
What is the InChIKey of 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane?
The InChIKey is ZICMTXPAUBFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-10-11(12(2)6-7-12)4-5-13(10)8-9-13/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane?
7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane has a molecular weight of 176.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6-(1-methylcyclopropyl)spiro[2.4]heptane is sourced from PubChem (CID 123558636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).