3-amino-2-methylidenepentanamide;hydrochloride

C6H13ClN2O — CID 18981506

IUPAC3-amino-2-methylidenepentanamide;hydrochloride
SMILESC=C(C(N)=O)C(N)CC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-5(7)4(2)6(8)9;/h5H,2-3,7H2,1H3,(H2,8,9);1H
InChIKeyPDQXUVIQBXQNLB-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-2-methylidenepentanamide;hydrochloride

3-amino-2-methylidenepentanamide;hydrochloride (PubChem CID 18981506) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 3-amino-2-methylidenepentanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methylidenepentanamide;hydrochloride
PubChem CID18981506
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name3-amino-2-methylidenepentanamide;hydrochloride
SMILESC=C(C(N)=O)C(N)CC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-5(7)4(2)6(8)9;/h5H,2-3,7H2,1H3,(H2,8,9);1H
InChIKeyPDQXUVIQBXQNLB-UHFFFAOYSA-N
XLogP0.19
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.19
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 3-amino-2-methylidenepentanamide;hydrochloride?
The IUPAC name of 3-amino-2-methylidenepentanamide;hydrochloride (CID 18981506) is 3-amino-2-methylidenepentanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methylidenepentanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methylidenepentanamide;hydrochloride is C=C(C(N)=O)C(N)CC.Cl.
What is the InChIKey of 3-amino-2-methylidenepentanamide;hydrochloride?
The InChIKey is PDQXUVIQBXQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-3-5(7)4(2)6(8)9;/h5H,2-3,7H2,1H3,(H2,8,9);1H.
What are the key properties of 3-amino-2-methylidenepentanamide;hydrochloride?
3-amino-2-methylidenepentanamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylidenepentanamide;hydrochloride is sourced from PubChem (CID 18981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).