1-but-1-enyl-1-ethenylcyclopropane

C9H14 — CID 90847616

IUPAC1-but-1-enyl-1-ethenylcyclopropane
SMILESC=CC1(C=CCC)CC1
InChIInChI=1S/C9H14/c1-3-5-6-9(4-2)7-8-9/h4-6H,2-3,7-8H2,1H3
InChIKeyCELZRNCTQJQFIK-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds3

About 1-but-1-enyl-1-ethenylcyclopropane

1-but-1-enyl-1-ethenylcyclopropane (PubChem CID 90847616) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-but-1-enyl-1-ethenylcyclopropane.

Molecular Properties

Compound Name1-but-1-enyl-1-ethenylcyclopropane
PubChem CID90847616
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-but-1-enyl-1-ethenylcyclopropane
SMILESC=CC1(C=CCC)CC1
InChIInChI=1S/C9H14/c1-3-5-6-9(4-2)7-8-9/h4-6H,2-3,7-8H2,1H3
InChIKeyCELZRNCTQJQFIK-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
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

(E)-2,2-Dimethylhept-3-ene
CID 5352650
trans-4,4-Dimethyl-2-hexene
CID 5352664
trans-1-Propenylcyclopropane
CID 5364359
cis-5,5-Dimethyl-2-hexene
CID 5364964
4-Methyl-1,5-Heptadiene
CID 5365804
5,5-Dimethyl-2-hexene
CID 5463192
4,4-Dimethyl-2-hexene
CID 140555
(Z)-4,4-Dimethylhex-2-ene
CID 6430914
Cyclopropane, (R,R)-1-((Z)-hex-1'-enyl)-2-ethenyl-
CID 12312966
3-ethyl-1,4-Hexadiene
CID 5367529
1,5-Heptadiene, 3-methyl-
CID 5364396
trans-1-[(1z)-Hexenyl]-2-vinylcyclopropane
CID 16752617

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-1-ethenylcyclopropane?
The IUPAC name of 1-but-1-enyl-1-ethenylcyclopropane (CID 90847616) is 1-but-1-enyl-1-ethenylcyclopropane.
What is the SMILES notation for 1-but-1-enyl-1-ethenylcyclopropane?
The canonical SMILES for 1-but-1-enyl-1-ethenylcyclopropane is C=CC1(C=CCC)CC1.
What is the InChIKey of 1-but-1-enyl-1-ethenylcyclopropane?
The InChIKey is CELZRNCTQJQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-6-9(4-2)7-8-9/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 1-but-1-enyl-1-ethenylcyclopropane?
1-but-1-enyl-1-ethenylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-1-ethenylcyclopropane is sourced from PubChem (CID 90847616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).