1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one

C13H17NO2 — CID 82100978

IUPAC1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO2/c1-4-9-14-10(2)13(15)11-7-5-6-8-12(11)16-3/h4-8,10,14H,1,9H2,2-3H3
InChIKeyNCIFVZBQUALZFE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.04
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one

1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one (PubChem CID 82100978) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
PubChem CID82100978
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO2/c1-4-9-14-10(2)13(15)11-7-5-6-8-12(11)16-3/h4-8,10,14H,1,9H2,2-3H3
InChIKeyNCIFVZBQUALZFE-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
CID 82101006
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one (CID 82100978) is 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one is C=CCNC(C)C(=O)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The InChIKey is NCIFVZBQUALZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-9-14-10(2)13(15)11-7-5-6-8-12(11)16-3/h4-8,10,14H,1,9H2,2-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one is sourced from PubChem (CID 82100978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).