(E)-4-chloropent-3-en-1-yne

C5H5Cl — CID 143498837

IUPAC(E)-4-chloropent-3-en-1-yne
SMILESC#C/C=C(\C)Cl
InChIInChI=1S/C5H5Cl/c1-3-4-5(2)6/h1,4H,2H3/b5-4+
InChIKeyRVQRSXBCMLIKCQ-SNAWJCMRSA-N
MW100.55 g/mol
LogP1.76
Rot. Bonds

About (E)-4-chloropent-3-en-1-yne

(E)-4-chloropent-3-en-1-yne (PubChem CID 143498837) has the molecular formula C5H5Cl and a molecular weight of 100.55 g/mol. Its IUPAC name is (E)-4-chloropent-3-en-1-yne.

Molecular Properties

Compound Name(E)-4-chloropent-3-en-1-yne
PubChem CID143498837
Molecular FormulaC5H5Cl
Molecular Weight100.55 g/mol
Exact Mass100.01
IUPAC Name(E)-4-chloropent-3-en-1-yne
SMILESC#C/C=C(\C)Cl
InChIInChI=1S/C5H5Cl/c1-3-4-5(2)6/h1,4H,2H3/b5-4+
InChIKeyRVQRSXBCMLIKCQ-SNAWJCMRSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.55
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-bromopent-3-en-1-yne
CID 143778319
(3E,5Z)-4-methoxy-5-methylhepta-3,5-dien-1-yne
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5,5-diethoxy-4-methylpent-3-en-1-yne
CID 3021755
2-chloroprop-1-en-1-amine
CID 151379752
(E)-2-chloroprop-1-ene-1-thiol
CID 143576946
but-1-en-3-yne;methanol
CID 158856275
(Z)-3-(ethynylamino)-2-methylprop-2-enimidoyl chloride
CID 164546318
1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
CID 88957770
6-chloro-2-pent-2-en-4-yn-2-ylcyclohexa-1,3-diene
CID 123725829
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
[(E)-3-chlorobut-2-enyl]-trimethylazanium
CID 54605638
(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine
CID 156695574

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloropent-3-en-1-yne?
The IUPAC name of (E)-4-chloropent-3-en-1-yne (CID 143498837) is (E)-4-chloropent-3-en-1-yne.
What is the SMILES notation for (E)-4-chloropent-3-en-1-yne?
The canonical SMILES for (E)-4-chloropent-3-en-1-yne is C#C/C=C(\C)Cl.
What is the InChIKey of (E)-4-chloropent-3-en-1-yne?
The InChIKey is RVQRSXBCMLIKCQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H5Cl/c1-3-4-5(2)6/h1,4H,2H3/b5-4+.
What are the key properties of (E)-4-chloropent-3-en-1-yne?
(E)-4-chloropent-3-en-1-yne has a molecular weight of 100.55 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloropent-3-en-1-yne is sourced from PubChem (CID 143498837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).