1-but-1-en-2-yl-2-propylcyclopropane

C10H18 — CID 123489914

IUPAC1-but-1-en-2-yl-2-propylcyclopropane
SMILESC=C(CC)C1CC1CCC
InChIInChI=1S/C10H18/c1-4-6-9-7-10(9)8(3)5-2/h9-10H,3-7H2,1-2H3
InChIKeyMPODZEFXCYPHJT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds4

About 1-but-1-en-2-yl-2-propylcyclopropane

1-but-1-en-2-yl-2-propylcyclopropane (PubChem CID 123489914) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-propylcyclopropane.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-propylcyclopropane
PubChem CID123489914
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-but-1-en-2-yl-2-propylcyclopropane
SMILESC=C(CC)C1CC1CCC
InChIInChI=1S/C10H18/c1-4-6-9-7-10(9)8(3)5-2/h9-10H,3-7H2,1-2H3
InChIKeyMPODZEFXCYPHJT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
CID 154814213
2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
(13R)-17-but-1-en-2-yl-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 155751511
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
CID 123584713
1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane
CID 143338715
N-(2-propylcyclopropyl)methanimine
CID 147257968
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-propylcyclopropane?
The IUPAC name of 1-but-1-en-2-yl-2-propylcyclopropane (CID 123489914) is 1-but-1-en-2-yl-2-propylcyclopropane.
What is the SMILES notation for 1-but-1-en-2-yl-2-propylcyclopropane?
The canonical SMILES for 1-but-1-en-2-yl-2-propylcyclopropane is C=C(CC)C1CC1CCC.
What is the InChIKey of 1-but-1-en-2-yl-2-propylcyclopropane?
The InChIKey is MPODZEFXCYPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-9-7-10(9)8(3)5-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-propylcyclopropane?
1-but-1-en-2-yl-2-propylcyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-propylcyclopropane is sourced from PubChem (CID 123489914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).