ethene;formaldehyde;quinoline

C12H13NO — CID 142226527

IUPACethene;formaldehyde;quinoline
SMILESC=C.C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4.CH2O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H2;1H2
InChIKeyCKSZKBZDPGDZRN-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.85
Rot. Bonds

About ethene;formaldehyde;quinoline

ethene;formaldehyde;quinoline (PubChem CID 142226527) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is ethene;formaldehyde;quinoline.

Molecular Properties

Compound Nameethene;formaldehyde;quinoline
PubChem CID142226527
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Nameethene;formaldehyde;quinoline
SMILESC=C.C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4.CH2O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H2;1H2
InChIKeyCKSZKBZDPGDZRN-UHFFFAOYSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;formaldehyde;quinoline?
The IUPAC name of ethene;formaldehyde;quinoline (CID 142226527) is ethene;formaldehyde;quinoline.
What is the SMILES notation for ethene;formaldehyde;quinoline?
The canonical SMILES for ethene;formaldehyde;quinoline is C=C.C=O.c1ccc2ncccc2c1.
What is the InChIKey of ethene;formaldehyde;quinoline?
The InChIKey is CKSZKBZDPGDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H4.CH2O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H2;1H2.
What are the key properties of ethene;formaldehyde;quinoline?
ethene;formaldehyde;quinoline has a molecular weight of 187.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;formaldehyde;quinoline is sourced from PubChem (CID 142226527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).