N-[(Z)-2-methyliminohex-3-enyl]acetamide

C9H16N2O — CID 143430517

IUPACN-[(Z)-2-methyliminohex-3-enyl]acetamide
SMILESCC/C=C\C(CNC(C)=O)=N/C
InChIInChI=1S/C9H16N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b6-5-,10-9+
InChIKeySIWJBEUINMLYSK-MLCWLASSSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds4

About N-[(Z)-2-methyliminohex-3-enyl]acetamide

N-[(Z)-2-methyliminohex-3-enyl]acetamide (PubChem CID 143430517) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(Z)-2-methyliminohex-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-methyliminohex-3-enyl]acetamide
PubChem CID143430517
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(Z)-2-methyliminohex-3-enyl]acetamide
SMILESCC/C=C\C(CNC(C)=O)=N/C
InChIInChI=1S/C9H16N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b6-5-,10-9+
InChIKeySIWJBEUINMLYSK-MLCWLASSSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-5,5-difluoro-2-methyl-4-methyliminopent-2-enyl]acetamide
CID 175634588
1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
CID 70794845
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
N-(2,3-dihydropyridin-6-ylmethyl)pentanamide
CID 91391690
3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
CID 123601777
2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
CID 123613729
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The IUPAC name of N-[(Z)-2-methyliminohex-3-enyl]acetamide (CID 143430517) is N-[(Z)-2-methyliminohex-3-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-methyliminohex-3-enyl]acetamide is CC/C=C\C(CNC(C)=O)=N/C.
What is the InChIKey of N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The InChIKey is SIWJBEUINMLYSK-MLCWLASSSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b6-5-,10-9+.
What are the key properties of N-[(Z)-2-methyliminohex-3-enyl]acetamide?
N-[(Z)-2-methyliminohex-3-enyl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methyliminohex-3-enyl]acetamide is sourced from PubChem (CID 143430517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).