3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one

C11H19N3O — CID 168920810

IUPAC3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
SMILESCC/C=C\C(=N/C)C1C(=O)NCCN1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-9(12-2)10-11(15)13-7-8-14(10)3/h5-6,10H,4,7-8H2,1-3H3,(H,13,15)/b6-5-,12-9+
InChIKeyKMPDAZHCQKETLC-ZCRLHDOISA-N
MW209.29 g/mol
LogP0.45
Rot. Bonds3

About 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one

3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one (PubChem CID 168920810) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
PubChem CID168920810
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
SMILESCC/C=C\C(=N/C)C1C(=O)NCCN1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-9(12-2)10-11(15)13-7-8-14(10)3/h5-6,10H,4,7-8H2,1-3H3,(H,13,15)/b6-5-,12-9+
InChIKeyKMPDAZHCQKETLC-ZCRLHDOISA-N
XLogP0.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(Difluoromethyl)-3-methyl-2,3-dihydropyridin-2-yl]-piperazin-1-ylmethanone
CID 123318508
(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
CID 70224369
N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287441
N-[2-[4-(2,3-dihydropyridin-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287663
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
2-N,6-N-dimethyl-2,3-dihydropyridine-2,6-dicarboxamide
CID 137241059
N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
CID 137427086
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
CID 154677754
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
CID 155031244
methane;(1R,6R)-7-methyl-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 157804769

Frequently Asked Questions

What is the IUPAC name of 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one?
The IUPAC name of 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one (CID 168920810) is 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one?
The canonical SMILES for 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one is CC/C=C\C(=N/C)C1C(=O)NCCN1C.
What is the InChIKey of 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one?
The InChIKey is KMPDAZHCQKETLC-ZCRLHDOISA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-9(12-2)10-11(15)13-7-8-14(10)3/h5-6,10H,4,7-8H2,1-3H3,(H,13,15)/b6-5-,12-9+.
What are the key properties of 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one?
3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 168920810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).