ethane;(Z)-2-(propylideneamino)but-2-enamide

C9H18N2O — CID 170978245

IUPACethane;(Z)-2-(propylideneamino)but-2-enamide
SMILESC/C=C(\N=C\CC)C(N)=O.CC
InChIInChI=1S/C7H12N2O.C2H6/c1-3-5-9-6(4-2)7(8)10;1-2/h4-5H,3H2,1-2H3,(H2,8,10);1-2H3/b6-4-,9-5+;
InChIKeyJALWGNLUBWHKES-AFPQSWDMSA-N
MW170.26 g/mol
LogP1.88
Rot. Bonds3

About ethane;(Z)-2-(propylideneamino)but-2-enamide

ethane;(Z)-2-(propylideneamino)but-2-enamide (PubChem CID 170978245) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;(Z)-2-(propylideneamino)but-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-2-(propylideneamino)but-2-enamide
PubChem CID170978245
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;(Z)-2-(propylideneamino)but-2-enamide
SMILESC/C=C(\N=C\CC)C(N)=O.CC
InChIInChI=1S/C7H12N2O.C2H6/c1-3-5-9-6(4-2)7(8)10;1-2/h4-5H,3H2,1-2H3,(H2,8,10);1-2H3/b6-4-,9-5+;
InChIKeyJALWGNLUBWHKES-AFPQSWDMSA-N
XLogP1.88
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propylidenethiourea
CID 57195256
(Z)-2-(propylideneamino)but-2-enal
CID 169111295
1,3-di(propylidene)guanidine
CID 174857851
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
[(E)-propylideneamino] acetate
CID 87078732
2-aminoethylideneurea
CID 123400317
(Z)-2-aminopent-2-enamide
CID 19089602
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
N-propylideneundecanamide
CID 90933467
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
1-(diaminomethylidene)-3-propylideneguanidine
CID 174393528

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(propylideneamino)but-2-enamide?
The IUPAC name of ethane;(Z)-2-(propylideneamino)but-2-enamide (CID 170978245) is ethane;(Z)-2-(propylideneamino)but-2-enamide.
What is the SMILES notation for ethane;(Z)-2-(propylideneamino)but-2-enamide?
The canonical SMILES for ethane;(Z)-2-(propylideneamino)but-2-enamide is C/C=C(\N=C\CC)C(N)=O.CC.
What is the InChIKey of ethane;(Z)-2-(propylideneamino)but-2-enamide?
The InChIKey is JALWGNLUBWHKES-AFPQSWDMSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-3-5-9-6(4-2)7(8)10;1-2/h4-5H,3H2,1-2H3,(H2,8,10);1-2H3/b6-4-,9-5+;.
What are the key properties of ethane;(Z)-2-(propylideneamino)but-2-enamide?
ethane;(Z)-2-(propylideneamino)but-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(propylideneamino)but-2-enamide is sourced from PubChem (CID 170978245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).