1-(3-chlorophenyl)prop-2-ynylhydrazine

C9H9ClN2 — CID 105194623

IUPAC1-(3-chlorophenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2/c1-2-9(12-11)7-4-3-5-8(10)6-7/h1,3-6,9,12H,11H2
InChIKeyMUHHZYIEQXIOLD-UHFFFAOYSA-N
MW180.64 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-chlorophenyl)prop-2-ynylhydrazine

1-(3-chlorophenyl)prop-2-ynylhydrazine (PubChem CID 105194623) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)prop-2-ynylhydrazine
PubChem CID105194623
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name1-(3-chlorophenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2/c1-2-9(12-11)7-4-3-5-8(10)6-7/h1,3-6,9,12H,11H2
InChIKeyMUHHZYIEQXIOLD-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
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[(2-bromophenyl)-(3-chlorophenyl)methyl]hydrazine
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2-(3-chlorophenyl)-2-hydrazinylacetic acid
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1-chloro-3-[1-(3-chlorophenyl)but-3-yn-2-yl]benzene
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N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
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1-quinoxalin-6-ylprop-2-ynylhydrazine
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[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105289201
[(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
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2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
CID 174923221
[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
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[(3-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3-chlorophenyl)prop-2-ynylhydrazine (CID 105194623) is 1-(3-chlorophenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3-chlorophenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3-chlorophenyl)prop-2-ynylhydrazine is C#CC(NN)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)prop-2-ynylhydrazine?
The InChIKey is MUHHZYIEQXIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-2-9(12-11)7-4-3-5-8(10)6-7/h1,3-6,9,12H,11H2.
What are the key properties of 1-(3-chlorophenyl)prop-2-ynylhydrazine?
1-(3-chlorophenyl)prop-2-ynylhydrazine has a molecular weight of 180.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105194623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).