2-(methylaminomethyl)prop-2-enal

C5H9NO — CID 154323639

IUPAC2-(methylaminomethyl)prop-2-enal
SMILESC=C(C=O)CNC
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h4,6H,1,3H2,2H3
InChIKeyIFMJCBCILMYYDY-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.04
Rot. Bonds3

About 2-(methylaminomethyl)prop-2-enal

2-(methylaminomethyl)prop-2-enal (PubChem CID 154323639) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(methylaminomethyl)prop-2-enal.

Molecular Properties

Compound Name2-(methylaminomethyl)prop-2-enal
PubChem CID154323639
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(methylaminomethyl)prop-2-enal
SMILESC=C(C=O)CNC
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h4,6H,1,3H2,2H3
InChIKeyIFMJCBCILMYYDY-UHFFFAOYSA-N
XLogP-0.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(hydroxyamino)methyl]prop-2-enal
CID 123902015
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
N-methyl-2-[(Z)-(methylhydrazinylidene)methyl]prop-2-en-1-amine
CID 143109432
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
2-formylprop-2-enyl hypofluorite
CID 145275919
2-methyl(113C)prop-2-enal
CID 71749931
N-(methylaminomethyl)formamide
CID 20608441
(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
CID 144636958
4-formylpent-4-enoic acid
CID 55298799
ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine
CID 142074125
1-N,2-N-dimethyl-2-N-prop-2-enylprop-2-ene-1,2-diamine
CID 153334785
ethane;1-(methylamino)propan-2-one;2-methylpropanal
CID 170710537

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)prop-2-enal?
The IUPAC name of 2-(methylaminomethyl)prop-2-enal (CID 154323639) is 2-(methylaminomethyl)prop-2-enal.
What is the SMILES notation for 2-(methylaminomethyl)prop-2-enal?
The canonical SMILES for 2-(methylaminomethyl)prop-2-enal is C=C(C=O)CNC.
What is the InChIKey of 2-(methylaminomethyl)prop-2-enal?
The InChIKey is IFMJCBCILMYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h4,6H,1,3H2,2H3.
What are the key properties of 2-(methylaminomethyl)prop-2-enal?
2-(methylaminomethyl)prop-2-enal has a molecular weight of 99.13 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)prop-2-enal is sourced from PubChem (CID 154323639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).