N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide

C8H15N3O — CID 147840228

IUPACN-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
SMILESCCC(=O)NCC(=CN)/C=N/C
InChIInChI=1S/C8H15N3O/c1-3-8(12)11-6-7(4-9)5-10-2/h4-5H,3,6,9H2,1-2H3,(H,11,12)/b7-4?,10-5+
InChIKeyHCLVVJKWIKKHAH-OQKLOKLJSA-N
MW169.23 g/mol
LogP0.06
Rot. Bonds4

About N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide

N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide (PubChem CID 147840228) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
PubChem CID147840228
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
SMILESCCC(=O)NCC(=CN)/C=N/C
InChIInChI=1S/C8H15N3O/c1-3-8(12)11-6-7(4-9)5-10-2/h4-5H,3,6,9H2,1-2H3,(H,11,12)/b7-4?,10-5+
InChIKeyHCLVVJKWIKKHAH-OQKLOKLJSA-N
XLogP0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide?
The IUPAC name of N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide (CID 147840228) is N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide.
What is the SMILES notation for N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide?
The canonical SMILES for N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide is CCC(=O)NCC(=CN)/C=N/C.
What is the InChIKey of N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide?
The InChIKey is HCLVVJKWIKKHAH-OQKLOKLJSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-8(12)11-6-7(4-9)5-10-2/h4-5H,3,6,9H2,1-2H3,(H,11,12)/b7-4?,10-5+.
What are the key properties of N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide?
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide has a molecular weight of 169.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide is sourced from PubChem (CID 147840228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).