N-methylmethanamine;2-oxo-2-phenylacetaldehyde

C10H13NO2 — CID 174528822

IUPACN-methylmethanamine;2-oxo-2-phenylacetaldehyde
SMILESCNC.O=CC(=O)c1ccccc1
InChIInChI=1S/C8H6O2.C2H7N/c9-6-8(10)7-4-2-1-3-5-7;1-3-2/h1-6H;3H,1-2H3
InChIKeyDNNADXBPWLTALW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds2

About N-methylmethanamine;2-oxo-2-phenylacetaldehyde

N-methylmethanamine;2-oxo-2-phenylacetaldehyde (PubChem CID 174528822) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-methylmethanamine;2-oxo-2-phenylacetaldehyde.

Molecular Properties

Compound NameN-methylmethanamine;2-oxo-2-phenylacetaldehyde
PubChem CID174528822
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-methylmethanamine;2-oxo-2-phenylacetaldehyde
SMILESCNC.O=CC(=O)c1ccccc1
InChIInChI=1S/C8H6O2.C2H7N/c9-6-8(10)7-4-2-1-3-5-7;1-3-2/h1-6H;3H,1-2H3
InChIKeyDNNADXBPWLTALW-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;2-oxo-2-phenylacetaldehyde;1-phenylethanone
CID 159850443
phenacylidenetungsten
CID 139264471
N-methylbenzamide
CID 11954
acetaldehyde;benzoic acid
CID 142179743
octakis(2-[4-(4-oxaldehydoylphenyl)phenyl]-2-oxoacetaldehyde);pentahydrate
CID 173440515
ethane;2-(3-methylphenyl)-2-oxoacetaldehyde
CID 90798157
methanamine;1-phenylprop-2-en-1-one
CID 91395058
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
2-oxo-2-phenylethanethial;hydrofluoride
CID 174571651
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
Lithium benzoate, 99%
CID 57451198
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-oxo-2-phenylacetaldehyde?
The IUPAC name of N-methylmethanamine;2-oxo-2-phenylacetaldehyde (CID 174528822) is N-methylmethanamine;2-oxo-2-phenylacetaldehyde.
What is the SMILES notation for N-methylmethanamine;2-oxo-2-phenylacetaldehyde?
The canonical SMILES for N-methylmethanamine;2-oxo-2-phenylacetaldehyde is CNC.O=CC(=O)c1ccccc1.
What is the InChIKey of N-methylmethanamine;2-oxo-2-phenylacetaldehyde?
The InChIKey is DNNADXBPWLTALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C2H7N/c9-6-8(10)7-4-2-1-3-5-7;1-3-2/h1-6H;3H,1-2H3.
What are the key properties of N-methylmethanamine;2-oxo-2-phenylacetaldehyde?
N-methylmethanamine;2-oxo-2-phenylacetaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-oxo-2-phenylacetaldehyde is sourced from PubChem (CID 174528822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).