[(E)-prop-1-enyl]cyclopropane

C6H10 — CID 5364359

IUPAC[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/C1CC1
InChIInChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyTWAJIXJFYMNJJO-NSCUHMNNSA-N
MW82.15 g/mol
LogP1.97
Rot. Bonds1

About [(E)-prop-1-enyl]cyclopropane

[(E)-prop-1-enyl]cyclopropane (PubChem CID 5364359) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is [(E)-prop-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-prop-1-enyl]cyclopropane
PubChem CID5364359
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/C1CC1
InChIInChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyTWAJIXJFYMNJJO-NSCUHMNNSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.97
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

4-Methyl-2-pentene, (2Z)-
CID 5326159
4-Methyl-2-pentene
CID 12659
4-Methyl-2-pentene, (2E)-
CID 172092
2-Methyl-3-heptene, (3E)-
CID 5357255
4-Methyl-2-hexene
CID 5357249
4-Methyl-2-hexene, (Z)-
CID 5357251
5-Methyl-2-hexene
CID 5357252
(3E)-2-Methyl-3-hexene
CID 5352548
5-Methyl-2-hexene, (2Z)-
CID 5364850
4-Methyl-1,5-Heptadiene
CID 5365804
3-Hexene, 2-methyl-, (Z)-
CID 5365948
4-Methylhex-2-ene
CID 103002

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl]cyclopropane?
The IUPAC name of [(E)-prop-1-enyl]cyclopropane (CID 5364359) is [(E)-prop-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-prop-1-enyl]cyclopropane?
The canonical SMILES for [(E)-prop-1-enyl]cyclopropane is C/C=C/C1CC1.
What is the InChIKey of [(E)-prop-1-enyl]cyclopropane?
The InChIKey is TWAJIXJFYMNJJO-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of [(E)-prop-1-enyl]cyclopropane?
[(E)-prop-1-enyl]cyclopropane has a molecular weight of 82.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl]cyclopropane is sourced from PubChem (CID 5364359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).