azane;2-methylidenepentanamide

C6H14N2O — CID 19390238

IUPACazane;2-methylidenepentanamide
SMILESC=C(CCC)C(N)=O.N
InChIInChI=1S/C6H11NO.H3N/c1-3-4-5(2)6(7)8;/h2-4H2,1H3,(H2,7,8);1H3
InChIKeyHUALWRNJWDCTNU-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.99
Rot. Bonds3

About azane;2-methylidenepentanamide

azane;2-methylidenepentanamide (PubChem CID 19390238) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is azane;2-methylidenepentanamide.

Molecular Properties

Compound Nameazane;2-methylidenepentanamide
PubChem CID19390238
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameazane;2-methylidenepentanamide
SMILESC=C(CCC)C(N)=O.N
InChIInChI=1S/C6H11NO.H3N/c1-3-4-5(2)6(7)8;/h2-4H2,1H3,(H2,7,8);1H3
InChIKeyHUALWRNJWDCTNU-UHFFFAOYSA-N
XLogP0.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.99
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 azane;2-methylidenepentanamide?
The IUPAC name of azane;2-methylidenepentanamide (CID 19390238) is azane;2-methylidenepentanamide.
What is the SMILES notation for azane;2-methylidenepentanamide?
The canonical SMILES for azane;2-methylidenepentanamide is C=C(CCC)C(N)=O.N.
What is the InChIKey of azane;2-methylidenepentanamide?
The InChIKey is HUALWRNJWDCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.H3N/c1-3-4-5(2)6(7)8;/h2-4H2,1H3,(H2,7,8);1H3.
What are the key properties of azane;2-methylidenepentanamide?
azane;2-methylidenepentanamide has a molecular weight of 130.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylidenepentanamide is sourced from PubChem (CID 19390238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).