1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C19H28N2O2 — CID 50984404

IUPAC1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H28N2O2/c1-4-7-16-13-15(3)14-17(8-5-2)21(16)19(23)10-12-20-11-6-9-18(20)22/h4-5,13,16-17H,1-2,6-12,14H2,3H3/t16-,17-/m0/s1
InChIKeyCCJFDZBEGGCVBC-IRXDYDNUSA-N
MW316.44 g/mol
LogP3.07
Rot. Bonds7

About 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 50984404) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID50984404
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H28N2O2/c1-4-7-16-13-15(3)14-17(8-5-2)21(16)19(23)10-12-20-11-6-9-18(20)22/h4-5,13,16-17H,1-2,6-12,14H2,3H3/t16-,17-/m0/s1
InChIKeyCCJFDZBEGGCVBC-IRXDYDNUSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 50984404) is 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one is C=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CCN1CCCC1=O.
What is the InChIKey of 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is CCJFDZBEGGCVBC-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-7-16-13-15(3)14-17(8-5-2)21(16)19(23)10-12-20-11-6-9-18(20)22/h4-5,13,16-17H,1-2,6-12,14H2,3H3/t16-,17-/m0/s1.
What are the key properties of 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 50984404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).