5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide

C19H26N2O3 — CID 91377340

IUPAC5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide
SMILESCC(C=CC(=O)NCCN1CCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-15(12-16-5-6-17-18(13-16)24-14-23-17)4-7-19(22)20-8-11-21-9-2-3-10-21/h4-7,13,15H,2-3,8-12,14H2,1H3,(H,20,22)
InChIKeyZCWSRUPKLHQTCV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.36
Rot. Bonds7

About 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide

5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide (PubChem CID 91377340) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide
PubChem CID91377340
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide
SMILESCC(C=CC(=O)NCCN1CCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-15(12-16-5-6-17-18(13-16)24-14-23-17)4-7-19(22)20-8-11-21-9-2-3-10-21/h4-7,13,15H,2-3,8-12,14H2,1H3,(H,20,22)
InChIKeyZCWSRUPKLHQTCV-UHFFFAOYSA-N
XLogP2.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylamino]methyl]-3-piperidin-1-ylpropanamide
CID 168989295
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]methyl]-2-pyrrolidin-1-ylacetamide
CID 166468269
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42858759
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
CID 101018068
4-(1,3-benzodioxol-5-ylmethyl)-1-piperidin-1-ylhex-2-en-1-one
CID 73153081
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
(E)-N-(1,3-benzodioxol-5-ylmethyl)but-2-enamide
CID 70328335
1-[4-[[4-(1,3-benzodioxol-5-yl)-3-methylbutan-2-yl]amino]butyl]piperidin-2-one
CID 69223994
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
N-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629544

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide (CID 91377340) is 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide is CC(C=CC(=O)NCCN1CCCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide?
The InChIKey is ZCWSRUPKLHQTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15(12-16-5-6-17-18(13-16)24-14-23-17)4-7-19(22)20-8-11-21-9-2-3-10-21/h4-7,13,15H,2-3,8-12,14H2,1H3,(H,20,22).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide?
5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide is sourced from PubChem (CID 91377340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).