5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one

C14H24N2O — CID 143782089

IUPAC5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one
SMILESCCC1=C(/C=C(\C)C(C)CCNC)NC(=O)C1
InChIInChI=1S/C14H24N2O/c1-5-12-9-14(17)16-13(12)8-11(3)10(2)6-7-15-4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17)/b11-8+
InChIKeyADZYRZCUKLEGDA-DHZHZOJOSA-N
MW236.36 g/mol
LogP2.36
Rot. Bonds6

About 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one

5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one (PubChem CID 143782089) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one
PubChem CID143782089
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one
SMILESCCC1=C(/C=C(\C)C(C)CCNC)NC(=O)C1
InChIInChI=1S/C14H24N2O/c1-5-12-9-14(17)16-13(12)8-11(3)10(2)6-7-15-4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17)/b11-8+
InChIKeyADZYRZCUKLEGDA-DHZHZOJOSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one?
The IUPAC name of 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one (CID 143782089) is 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one?
The canonical SMILES for 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one is CCC1=C(/C=C(\C)C(C)CCNC)NC(=O)C1.
What is the InChIKey of 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one?
The InChIKey is ADZYRZCUKLEGDA-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12-9-14(17)16-13(12)8-11(3)10(2)6-7-15-4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17)/b11-8+.
What are the key properties of 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one?
5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2,3-dimethyl-5-(methylamino)pent-1-enyl]-4-ethyl-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 143782089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).