(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one

C16H26BrNO — CID 10758637

IUPAC(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)[C@@H]1CCC(=O)N1C/C(Br)=C\CCCCCC
InChIInChI=1S/C16H26BrNO/c1-4-5-6-7-8-9-14(17)12-18-15(13(2)3)10-11-16(18)19/h9,15H,2,4-8,10-12H2,1,3H3/b14-9+/t15-/m0/s1
InChIKeyFRBLRBVJFALKDO-HNRFISLBSA-N
MW328.29 g/mol
LogP4.80
Rot. Bonds8

About (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one

(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 10758637) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID10758637
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)[C@@H]1CCC(=O)N1C/C(Br)=C\CCCCCC
InChIInChI=1S/C16H26BrNO/c1-4-5-6-7-8-9-14(17)12-18-15(13(2)3)10-11-16(18)19/h9,15H,2,4-8,10-12H2,1,3H3/b14-9+/t15-/m0/s1
InChIKeyFRBLRBVJFALKDO-HNRFISLBSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9aS)-9-prop-1-en-2-yl-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-3-one
CID 10797798
7-Methyl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 11829507
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
(5S)-1-[(Z)-2-bromohex-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one
CID 10636921
(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
CID 10753036
2-[(2S)-1-[(E)-2-bromonon-2-enyl]-5-oxopyrrolidin-2-yl]prop-2-enal
CID 10759696
(5S)-1-[(E)-2-bromonon-2-enyl]-5-(3-chloroprop-1-en-2-yl)pyrrolidin-2-one
CID 10808666
1-(2,5-Dimethylpyrrolidin-1-yl)-3,4-di(ethylidene)hept-6-en-1-one
CID 123228358
5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpyrrolidin-2-one
CID 142590994
9-(cyclopropen-1-yl)-1-[(2R)-2-propylpyrrolidin-1-yl]nonan-1-one
CID 156381145
(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
CID 10798290
5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one
CID 12778188

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one (CID 10758637) is (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one is C=C(C)[C@@H]1CCC(=O)N1C/C(Br)=C\CCCCCC.
What is the InChIKey of (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is FRBLRBVJFALKDO-HNRFISLBSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-5-6-7-8-9-14(17)12-18-15(13(2)3)10-11-16(18)19/h9,15H,2,4-8,10-12H2,1,3H3/b14-9+/t15-/m0/s1.
What are the key properties of (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one?
(5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 328.29 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(E)-2-bromonon-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 10758637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).