ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide

C10H20N2O — CID 143723815

IUPACethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
SMILESC/C=N/C=C\CCNC(C)=O.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-3-9-6-4-5-7-10-8(2)11;1-2/h3-4,6H,5,7H2,1-2H3,(H,10,11);1-2H3/b6-4-,9-3+;
InChIKeyDARUMRIYKYJXDJ-ANZGCBAVSA-N
MW184.28 g/mol
LogP2.14
Rot. Bonds4

About ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide

ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide (PubChem CID 143723815) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
PubChem CID143723815
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
SMILESC/C=N/C=C\CCNC(C)=O.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-3-9-6-4-5-7-10-8(2)11;1-2/h3-4,6H,5,7H2,1-2H3,(H,10,11);1-2H3/b6-4-,9-3+;
InChIKeyDARUMRIYKYJXDJ-ANZGCBAVSA-N
XLogP2.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide
CID 90245678
(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
CID 90246005
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-butyl-3,4-dihydropyridine-3-carboxamide
CID 130218186
N-[2-(4H-pyridin-1-ium-4-ylium-1-ylidene)ethyl]prop-2-enamide
CID 137081340
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-[(4R)-3,4-dihydropyridin-4-yl]acetamide
CID 143301452
N-(3,4-dihydropyridin-4-ylmethyl)acetamide
CID 153184611
2-ethenylimino-N-ethylbut-3-enamide
CID 170583189
N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide
CID 171845231
ethane;N-(2-ethenyliminobut-3-enyl)acetamide
CID 177244131

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The IUPAC name of ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide (CID 143723815) is ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide.
What is the SMILES notation for ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The canonical SMILES for ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide is C/C=N/C=C\CCNC(C)=O.CC.
What is the InChIKey of ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The InChIKey is DARUMRIYKYJXDJ-ANZGCBAVSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-3-9-6-4-5-7-10-8(2)11;1-2/h3-4,6H,5,7H2,1-2H3,(H,10,11);1-2H3/b6-4-,9-3+;.
What are the key properties of ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide has a molecular weight of 184.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide is sourced from PubChem (CID 143723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).