(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide

C12H22N2O — CID 89224177

IUPAC(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
SMILESC/C=C(/CC(=O)NCCC)N/C(C)=C/C
InChIInChI=1S/C12H22N2O/c1-5-8-13-12(15)9-11(7-3)14-10(4)6-2/h6-7,14H,5,8-9H2,1-4H3,(H,13,15)/b10-6+,11-7-
InChIKeyYLCGIXIWRLTOMY-QZTBCQRESA-N
MW210.32 g/mol
LogP2.32
Rot. Bonds6

About (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide

(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide (PubChem CID 89224177) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide.

Molecular Properties

Compound Name(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
PubChem CID89224177
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
SMILESC/C=C(/CC(=O)NCCC)N/C(C)=C/C
InChIInChI=1S/C12H22N2O/c1-5-8-13-12(15)9-11(7-3)14-10(4)6-2/h6-7,14H,5,8-9H2,1-4H3,(H,13,15)/b10-6+,11-7-
InChIKeyYLCGIXIWRLTOMY-QZTBCQRESA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide?
The IUPAC name of (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide (CID 89224177) is (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide.
What is the SMILES notation for (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide?
The canonical SMILES for (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide is C/C=C(/CC(=O)NCCC)N/C(C)=C/C.
What is the InChIKey of (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide?
The InChIKey is YLCGIXIWRLTOMY-QZTBCQRESA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-8-13-12(15)9-11(7-3)14-10(4)6-2/h6-7,14H,5,8-9H2,1-4H3,(H,13,15)/b10-6+,11-7-.
What are the key properties of (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide?
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide has a molecular weight of 210.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide is sourced from PubChem (CID 89224177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).