(E)-5-chloro-1-cyclopropylpent-4-en-1-one

C8H11ClO — CID 107900845

IUPAC(E)-5-chloro-1-cyclopropylpent-4-en-1-one
SMILESO=C(CC/C=C/Cl)C1CC1
InChIInChI=1S/C8H11ClO/c9-6-2-1-3-8(10)7-4-5-7/h2,6-7H,1,3-5H2/b6-2+
InChIKeySFDCKTOLZGECBB-QHHAFSJGSA-N
MW158.63 g/mol
LogP2.50
Rot. Bonds4

About (E)-5-chloro-1-cyclopropylpent-4-en-1-one

(E)-5-chloro-1-cyclopropylpent-4-en-1-one (PubChem CID 107900845) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (E)-5-chloro-1-cyclopropylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-5-chloro-1-cyclopropylpent-4-en-1-one
PubChem CID107900845
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(E)-5-chloro-1-cyclopropylpent-4-en-1-one
SMILESO=C(CC/C=C/Cl)C1CC1
InChIInChI=1S/C8H11ClO/c9-6-2-1-3-8(10)7-4-5-7/h2,6-7H,1,3-5H2/b6-2+
InChIKeySFDCKTOLZGECBB-QHHAFSJGSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-hydroxypropan-1-one
CID 115011064
5-chloropent-4-enamide
CID 71321205
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
1-cyclopropyl-4-fluorobutan-1-one
CID 80696866
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
1-(3-methylcyclopentyl)pent-4-en-1-one
CID 65403175
4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
CID 114451265
(3E)-3-(4-cyclopropyl-4-oxobutylidene)oxolan-2-one
CID 11446867
1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
1-cyclopropyl-4-hydroxypentan-1-one
CID 15726184
1-(4-hydroxycyclohexyl)butan-1-one
CID 116920125

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-1-cyclopropylpent-4-en-1-one?
The IUPAC name of (E)-5-chloro-1-cyclopropylpent-4-en-1-one (CID 107900845) is (E)-5-chloro-1-cyclopropylpent-4-en-1-one.
What is the SMILES notation for (E)-5-chloro-1-cyclopropylpent-4-en-1-one?
The canonical SMILES for (E)-5-chloro-1-cyclopropylpent-4-en-1-one is O=C(CC/C=C/Cl)C1CC1.
What is the InChIKey of (E)-5-chloro-1-cyclopropylpent-4-en-1-one?
The InChIKey is SFDCKTOLZGECBB-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H11ClO/c9-6-2-1-3-8(10)7-4-5-7/h2,6-7H,1,3-5H2/b6-2+.
What are the key properties of (E)-5-chloro-1-cyclopropylpent-4-en-1-one?
(E)-5-chloro-1-cyclopropylpent-4-en-1-one has a molecular weight of 158.63 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-1-cyclopropylpent-4-en-1-one is sourced from PubChem (CID 107900845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).