1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one

C17H26N2O2 — CID 10424331

IUPAC1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one
SMILESC=CCN(CC=C)[C@H](Cn1ccccc1=O)[C@@H](O)CCC
InChIInChI=1S/C17H26N2O2/c1-4-9-16(20)15(18(11-5-2)12-6-3)14-19-13-8-7-10-17(19)21/h5-8,10,13,15-16,20H,2-4,9,11-12,14H2,1H3/t15-,16+/m1/s1
InChIKeyCRCWOCOMPDEYPI-CVEARBPZSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds10

About 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one

1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one (PubChem CID 10424331) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one
PubChem CID10424331
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one
SMILESC=CCN(CC=C)[C@H](Cn1ccccc1=O)[C@@H](O)CCC
InChIInChI=1S/C17H26N2O2/c1-4-9-16(20)15(18(11-5-2)12-6-3)14-19-13-8-7-10-17(19)21/h5-8,10,13,15-16,20H,2-4,9,11-12,14H2,1H3/t15-,16+/m1/s1
InChIKeyCRCWOCOMPDEYPI-CVEARBPZSA-N
XLogP2.05
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one?
The IUPAC name of 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one (CID 10424331) is 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one.
What is the SMILES notation for 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one?
The canonical SMILES for 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one is C=CCN(CC=C)[C@H](Cn1ccccc1=O)[C@@H](O)CCC.
What is the InChIKey of 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one?
The InChIKey is CRCWOCOMPDEYPI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-9-16(20)15(18(11-5-2)12-6-3)14-19-13-8-7-10-17(19)21/h5-8,10,13,15-16,20H,2-4,9,11-12,14H2,1H3/t15-,16+/m1/s1.
What are the key properties of 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one?
1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyridin-2-one is sourced from PubChem (CID 10424331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).