(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone

C14H20ClN3O — CID 113418780

IUPAC(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Cl)ccc2NN)C1
InChIInChI=1S/C14H20ClN3O/c1-2-3-10-6-7-18(9-10)14(19)12-8-11(15)4-5-13(12)17-16/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3
InChIKeyCXFBIUVKSXGPMR-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.89
Rot. Bonds4

About (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone

(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 113418780) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID113418780
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Cl)ccc2NN)C1
InChIInChI=1S/C14H20ClN3O/c1-2-3-10-6-7-18(9-10)14(19)12-8-11(15)4-5-13(12)17-16/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3
InChIKeyCXFBIUVKSXGPMR-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone (CID 113418780) is (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(Cl)ccc2NN)C1.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is CXFBIUVKSXGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-3-10-6-7-18(9-10)14(19)12-8-11(15)4-5-13(12)17-16/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113418780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).