methanamine;2-methylidenebutanamide

C6H14N2O — CID 23370711

IUPACmethanamine;2-methylidenebutanamide
SMILESC=C(CC)C(N)=O.CN
InChIInChI=1S/C5H9NO.CH5N/c1-3-4(2)5(6)7;1-2/h2-3H2,1H3,(H2,6,7);2H2,1H3
InChIKeyXRQNODQYJBCXAR-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.01
Rot. Bonds2

About methanamine;2-methylidenebutanamide

methanamine;2-methylidenebutanamide (PubChem CID 23370711) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is methanamine;2-methylidenebutanamide.

Molecular Properties

Compound Namemethanamine;2-methylidenebutanamide
PubChem CID23370711
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemethanamine;2-methylidenebutanamide
SMILESC=C(CC)C(N)=O.CN
InChIInChI=1S/C5H9NO.CH5N/c1-3-4(2)5(6)7;1-2/h2-3H2,1H3,(H2,6,7);2H2,1H3
InChIKeyXRQNODQYJBCXAR-UHFFFAOYSA-N
XLogP0.01
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-methylidenebutanamide?
The IUPAC name of methanamine;2-methylidenebutanamide (CID 23370711) is methanamine;2-methylidenebutanamide.
What is the SMILES notation for methanamine;2-methylidenebutanamide?
The canonical SMILES for methanamine;2-methylidenebutanamide is C=C(CC)C(N)=O.CN.
What is the InChIKey of methanamine;2-methylidenebutanamide?
The InChIKey is XRQNODQYJBCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.CH5N/c1-3-4(2)5(6)7;1-2/h2-3H2,1H3,(H2,6,7);2H2,1H3.
What are the key properties of methanamine;2-methylidenebutanamide?
methanamine;2-methylidenebutanamide has a molecular weight of 130.19 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylidenebutanamide is sourced from PubChem (CID 23370711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).