1-methyl-1-pent-2-enylcyclopropane

C9H16 — CID 123317828

IUPAC1-methyl-1-pent-2-enylcyclopropane
SMILESCCC=CCC1(C)CC1
InChIInChI=1S/C9H16/c1-3-4-5-6-9(2)7-8-9/h4-5H,3,6-8H2,1-2H3
InChIKeyZKDJSAKTJZXEGV-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds3

About 1-methyl-1-pent-2-enylcyclopropane

1-methyl-1-pent-2-enylcyclopropane (PubChem CID 123317828) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-methyl-1-pent-2-enylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-pent-2-enylcyclopropane
PubChem CID123317828
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-methyl-1-pent-2-enylcyclopropane
SMILESCCC=CCC1(C)CC1
InChIInChI=1S/C9H16/c1-3-4-5-6-9(2)7-8-9/h4-5H,3,6-8H2,1-2H3
InChIKeyZKDJSAKTJZXEGV-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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

2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
CID 168783124
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
(Z)-hex-3-ene;methylazanium
CID 158917607
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole
CID 170213911
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-pent-2-enylcyclopropane?
The IUPAC name of 1-methyl-1-pent-2-enylcyclopropane (CID 123317828) is 1-methyl-1-pent-2-enylcyclopropane.
What is the SMILES notation for 1-methyl-1-pent-2-enylcyclopropane?
The canonical SMILES for 1-methyl-1-pent-2-enylcyclopropane is CCC=CCC1(C)CC1.
What is the InChIKey of 1-methyl-1-pent-2-enylcyclopropane?
The InChIKey is ZKDJSAKTJZXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-4-5-6-9(2)7-8-9/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-methyl-1-pent-2-enylcyclopropane?
1-methyl-1-pent-2-enylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pent-2-enylcyclopropane is sourced from PubChem (CID 123317828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).