2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone

C13H15ClN2O — CID 118367954

IUPAC2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN2O/c1-3-7-16(8-4-2)10-13(17)12-9-11(14)5-6-15-12/h3-6,9H,1-2,7-8,10H2
InChIKeyVLMIUXTXRAWMQZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.59
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone

2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone (PubChem CID 118367954) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone
PubChem CID118367954
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN2O/c1-3-7-16(8-4-2)10-13(17)12-9-11(14)5-6-15-12/h3-6,9H,1-2,7-8,10H2
InChIKeyVLMIUXTXRAWMQZ-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-chloro-2-pyridinyl)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 118367981
4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide
CID 60746396
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
ethyl 3-(4-chloro-2-pyridinyl)-3-oxopropanoate
CID 53404617
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
1-(4-chloro-2-pyridinyl)-4,4-dimethoxybutan-1-one
CID 155205393
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
1-(4-methyl-2-pyridinyl)but-3-en-1-one
CID 63839400
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
CID 115279672
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone (CID 118367954) is 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone is C=CCN(CC=C)CC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone?
The InChIKey is VLMIUXTXRAWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-7-16(8-4-2)10-13(17)12-9-11(14)5-6-15-12/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone?
2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone has a molecular weight of 250.73 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone is sourced from PubChem (CID 118367954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).