(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide

C12H21NO — CID 143237605

IUPAC(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide
SMILESC/C=C(\C)C1(C(N)=O)CC1.C/C=C\C
InChIInChI=1S/C8H13NO.C4H8/c1-3-6(2)8(4-5-8)7(9)10;1-3-4-2/h3H,4-5H2,1-2H3,(H2,9,10);3-4H,1-2H3/b6-3+;4-3-
InChIKeyXIMIYKLHRZNQCT-KKFHYWLSSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds2

About (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide

(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide (PubChem CID 143237605) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide
PubChem CID143237605
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide
SMILESC/C=C(\C)C1(C(N)=O)CC1.C/C=C\C
InChIInChI=1S/C8H13NO.C4H8/c1-3-6(2)8(4-5-8)7(9)10;1-3-4-2/h3H,4-5H2,1-2H3,(H2,9,10);3-4H,1-2H3/b6-3+;4-3-
InChIKeyXIMIYKLHRZNQCT-KKFHYWLSSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide (CID 143237605) is (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide is C/C=C(\C)C1(C(N)=O)CC1.C/C=C\C.
What is the InChIKey of (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide?
The InChIKey is XIMIYKLHRZNQCT-KKFHYWLSSA-N. The full InChI is InChI=1S/C8H13NO.C4H8/c1-3-6(2)8(4-5-8)7(9)10;1-3-4-2/h3H,4-5H2,1-2H3,(H2,9,10);3-4H,1-2H3/b6-3+;4-3-.
What are the key properties of (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide?
(Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;1-[(E)-but-2-en-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143237605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).