1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine

C13H17NO — CID 173346929

IUPAC1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
SMILESC=CCON=C(CC)c1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyXDJKCVNKGMTQKO-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine

1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine (PubChem CID 173346929) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
PubChem CID173346929
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
SMILESC=CCON=C(CC)c1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyXDJKCVNKGMTQKO-UHFFFAOYSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-ethoxyimino-2-(3-methylphenyl)ethanethiol;propane
CID 142869456
N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide
CID 142801431
N-but-2-enoxy-1-(3-methylphenyl)ethanimine
CID 173323571
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
penta-1,4-diene;1,3-xylene
CID 173131413
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine
CID 89387038
[[1-(3-methylphenyl)-3-oxobutylidene]amino] sulfite
CID 57238380
prop-2-enyl N-prop-2-enoxybenzenecarboximidate
CID 165355751
3-hydroxy-5,5-dimethyl-4-(3-methylphenyl)-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]cyclohex-2-en-1-one
CID 135700377
3-hydroxy-5,5-dimethyl-4-(3-methylphenyl)-2-(C-methyl-N-prop-2-enoxycarbonimidoyl)cyclohex-2-en-1-one
CID 135442472
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine?
The IUPAC name of 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine (CID 173346929) is 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine.
What is the SMILES notation for 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine?
The canonical SMILES for 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine is C=CCON=C(CC)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine?
The InChIKey is XDJKCVNKGMTQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h4,6-8,10H,1,5,9H2,2-3H3.
What are the key properties of 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine?
1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine has a molecular weight of 203.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine is sourced from PubChem (CID 173346929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).