pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one

C12H24N2O — CID 145305672

IUPACpent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
SMILESC=C(N)CCC.CCC[C@@H]1CNC(=O)C1
InChIInChI=1S/C7H13NO.C5H11N/c1-2-3-6-4-7(9)8-5-6;1-3-4-5(2)6/h6H,2-5H2,1H3,(H,8,9);2-4,6H2,1H3/t6-;/m0./s1
InChIKeyGXSMXGITLFAOTF-RGMNGODLSA-N
MW212.34 g/mol
LogP2.18
Rot. Bonds4

About pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one

pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one (PubChem CID 145305672) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Namepent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
PubChem CID145305672
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namepent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
SMILESC=C(N)CCC.CCC[C@@H]1CNC(=O)C1
InChIInChI=1S/C7H13NO.C5H11N/c1-2-3-6-4-7(9)8-5-6;1-3-4-5(2)6/h6H,2-5H2,1H3,(H,8,9);2-4,6H2,1H3/t6-;/m0./s1
InChIKeyGXSMXGITLFAOTF-RGMNGODLSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)pyrrolidin-2-one
CID 134969458
4-(But-3-enyl)pyrrolidin-2-one
CID 129860478
(5R)-4-methylidene-5-propan-2-ylpyrrolidin-2-one
CID 178327413
2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
4-Methyl-5-(2-propenyl)pyrrolidin-2-one
CID 18782103
3-(2-Methylpropyl)-3-(propen-2-yl)-2-pyrrolidinone
CID 19705450
3-(2-Methylprop-2-enyl)pyrrolidin-2-one
CID 53403966
N-methyl-2-(1-methyl-2-methylidenepyrrolidin-3-yl)acetamide
CID 59931993
(3S)-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 59951662
3-Hex-1-en-3-ylpyrrolidin-2-one
CID 66716496
(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 66729901
3,4,5-Tris(prop-1-en-2-yl)pyrrolidin-2-one
CID 68605647

Frequently Asked Questions

What is the IUPAC name of pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one?
The IUPAC name of pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one (CID 145305672) is pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one.
What is the SMILES notation for pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one?
The canonical SMILES for pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one is C=C(N)CCC.CCC[C@@H]1CNC(=O)C1.
What is the InChIKey of pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one?
The InChIKey is GXSMXGITLFAOTF-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO.C5H11N/c1-2-3-6-4-7(9)8-5-6;1-3-4-5(2)6/h6H,2-5H2,1H3,(H,8,9);2-4,6H2,1H3/t6-;/m0./s1.
What are the key properties of pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one?
pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 145305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).