ethene;ethenone;4-methylaniline;prop-1-ene

C14H21NO — CID 143305590

IUPACethene;ethenone;4-methylaniline;prop-1-ene
SMILESC=C.C=C=O.C=CC.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C3H6.C2H2O.C2H4/c1-6-2-4-7(8)5-3-6;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;3H,1H2,2H3;1H2;1-2H2
InChIKeyWDCHVFMDDHPHEE-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.58
Rot. Bonds

About ethene;ethenone;4-methylaniline;prop-1-ene

ethene;ethenone;4-methylaniline;prop-1-ene (PubChem CID 143305590) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethene;ethenone;4-methylaniline;prop-1-ene.

Molecular Properties

Compound Nameethene;ethenone;4-methylaniline;prop-1-ene
PubChem CID143305590
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethene;ethenone;4-methylaniline;prop-1-ene
SMILESC=C.C=C=O.C=CC.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C3H6.C2H2O.C2H4/c1-6-2-4-7(8)5-3-6;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;3H,1H2,2H3;1H2;1-2H2
InChIKeyWDCHVFMDDHPHEE-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;ethenone;4-methylaniline;prop-1-ene?
The IUPAC name of ethene;ethenone;4-methylaniline;prop-1-ene (CID 143305590) is ethene;ethenone;4-methylaniline;prop-1-ene.
What is the SMILES notation for ethene;ethenone;4-methylaniline;prop-1-ene?
The canonical SMILES for ethene;ethenone;4-methylaniline;prop-1-ene is C=C.C=C=O.C=CC.Cc1ccc(N)cc1.
What is the InChIKey of ethene;ethenone;4-methylaniline;prop-1-ene?
The InChIKey is WDCHVFMDDHPHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H6.C2H2O.C2H4/c1-6-2-4-7(8)5-3-6;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;3H,1H2,2H3;1H2;1-2H2.
What are the key properties of ethene;ethenone;4-methylaniline;prop-1-ene?
ethene;ethenone;4-methylaniline;prop-1-ene has a molecular weight of 219.33 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenone;4-methylaniline;prop-1-ene is sourced from PubChem (CID 143305590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).