1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane

C9H16 — CID 57308764

IUPAC1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane
SMILESCCC1C(=C(C)C)C1C
InChIInChI=1S/C9H16/c1-5-8-7(4)9(8)6(2)3/h7-8H,5H2,1-4H3
InChIKeyUSEBYZSVPHZJIQ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

About 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane

1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane (PubChem CID 57308764) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane
PubChem CID57308764
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane
SMILESCCC1C(=C(C)C)C1C
InChIInChI=1S/C9H16/c1-5-8-7(4)9(8)6(2)3/h7-8H,5H2,1-4H3
InChIKeyUSEBYZSVPHZJIQ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

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cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol
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1-ethyl-2-methylidene-3-propylcyclopropane
CID 123561937
(3S,4R)-4-acetyl-3-ethylazetidin-2-one
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[(4S,5R)-5-ethyl-4-methylcyclopenten-1-yl]-trimethylsilane
CID 99771590
3-[2-[4-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione
CID 130186744
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
2-ethyl-3-methylidenecycloheptan-1-ol
CID 71439619
trans-(2S,3S)-2-methyl-3-propanoylcyclopentan-1-one
CID 91694790
7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973761

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane?
The IUPAC name of 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane (CID 57308764) is 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane is CCC1C(=C(C)C)C1C.
What is the InChIKey of 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane?
The InChIKey is USEBYZSVPHZJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-8-7(4)9(8)6(2)3/h7-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane?
1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-propan-2-ylidenecyclopropane is sourced from PubChem (CID 57308764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).