(Z)-but-2-enamide;(E)-but-2-enamide;methane

C9H18N2O2 — CID 163931576

IUPAC(Z)-but-2-enamide;(E)-but-2-enamide;methane
SMILESC.C/C=C/C(N)=O.C/C=C\C(N)=O
InChIInChI=1S/2C4H7NO.CH4/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H2,5,6);1H4/b3-2+;3-2-;
InChIKeyRJCFSYIUTLOUJT-OLIZGRGESA-N
MW186.25 g/mol
LogP0.73
Rot. Bonds2

About (Z)-but-2-enamide;(E)-but-2-enamide;methane

(Z)-but-2-enamide;(E)-but-2-enamide;methane (PubChem CID 163931576) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-but-2-enamide;(E)-but-2-enamide;methane.

Molecular Properties

Compound Name(Z)-but-2-enamide;(E)-but-2-enamide;methane
PubChem CID163931576
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(Z)-but-2-enamide;(E)-but-2-enamide;methane
SMILESC.C/C=C/C(N)=O.C/C=C\C(N)=O
InChIInChI=1S/2C4H7NO.CH4/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H2,5,6);1H4/b3-2+;3-2-;
InChIKeyRJCFSYIUTLOUJT-OLIZGRGESA-N
XLogP0.73
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enamide;ethane
CID 145356551
but-2-enamide;but-2-enedioic acid
CID 159670404
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
hepta-2,5-dien-4-one
CID 54179619
(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
CID 89285655
(Z)-2-methyliminopent-3-enamide
CID 126689701
ethyl (E)-but-2-enoate;methanamine
CID 88817268
ethane;methane;(E)-pent-3-en-2-one
CID 157296022
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
(E)-prop-1-en-1-ol;urea
CID 87083567

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enamide;(E)-but-2-enamide;methane?
The IUPAC name of (Z)-but-2-enamide;(E)-but-2-enamide;methane (CID 163931576) is (Z)-but-2-enamide;(E)-but-2-enamide;methane.
What is the SMILES notation for (Z)-but-2-enamide;(E)-but-2-enamide;methane?
The canonical SMILES for (Z)-but-2-enamide;(E)-but-2-enamide;methane is C.C/C=C/C(N)=O.C/C=C\C(N)=O.
What is the InChIKey of (Z)-but-2-enamide;(E)-but-2-enamide;methane?
The InChIKey is RJCFSYIUTLOUJT-OLIZGRGESA-N. The full InChI is InChI=1S/2C4H7NO.CH4/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H2,5,6);1H4/b3-2+;3-2-;.
What are the key properties of (Z)-but-2-enamide;(E)-but-2-enamide;methane?
(Z)-but-2-enamide;(E)-but-2-enamide;methane has a molecular weight of 186.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enamide;(E)-but-2-enamide;methane is sourced from PubChem (CID 163931576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).