(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide

C12H19N3O — CID 155714640

IUPAC(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)NCC(/C=C\C)=N/CC
InChIInChI=1S/C12H19N3O/c1-4-7-10(14-6-3)9-15-12(16)11(13)8-5-2/h4-5,7-8,13H,6,9H2,1-3H3,(H,15,16)/b7-4-,8-5-,13-11+,14-10+
InChIKeyIEGREOUXBYSSRT-IQFMXTKBSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds6

About (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide

(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide (PubChem CID 155714640) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide
PubChem CID155714640
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)NCC(/C=C\C)=N/CC
InChIInChI=1S/C12H19N3O/c1-4-7-10(14-6-3)9-15-12(16)11(13)8-5-2/h4-5,7-8,13H,6,9H2,1-3H3,(H,15,16)/b7-4-,8-5-,13-11+,14-10+
InChIKeyIEGREOUXBYSSRT-IQFMXTKBSA-N
XLogP1.74
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
CID 171635643
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
(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
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide?
The IUPAC name of (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide (CID 155714640) is (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide.
What is the SMILES notation for (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide?
The canonical SMILES for (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide is [H]/N=C(\C=C/C)C(=O)NCC(/C=C\C)=N/CC.
What is the InChIKey of (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide?
The InChIKey is IEGREOUXBYSSRT-IQFMXTKBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-10(14-6-3)9-15-12(16)11(13)8-5-2/h4-5,7-8,13H,6,9H2,1-3H3,(H,15,16)/b7-4-,8-5-,13-11+,14-10+.
What are the key properties of (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide?
(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide has a molecular weight of 221.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide is sourced from PubChem (CID 155714640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).