(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one

C17H24N2O — CID 70645004

IUPAC(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one
SMILESC/C=C1/CC/C(C)=C/C(C)c2[nH]c(=O)ccc2C1(C)N
InChIInChI=1S/C17H24N2O/c1-5-13-7-6-11(2)10-12(3)16-14(17(13,4)18)8-9-15(20)19-16/h5,8-10,12H,6-7,18H2,1-4H3,(H,19,20)/b11-10+,13-5-
InChIKeyZWSQUNJBYZZZMK-OGNCIKNXSA-N
MW272.39 g/mol
LogP3.34
Rot. Bonds

About (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one

(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one (PubChem CID 70645004) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one.

Molecular Properties

Compound Name(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one
PubChem CID70645004
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one
SMILESC/C=C1/CC/C(C)=C/C(C)c2[nH]c(=O)ccc2C1(C)N
InChIInChI=1S/C17H24N2O/c1-5-13-7-6-11(2)10-12(3)16-14(17(13,4)18)8-9-15(20)19-16/h5,8-10,12H,6-7,18H2,1-4H3,(H,19,20)/b11-10+,13-5-
InChIKeyZWSQUNJBYZZZMK-OGNCIKNXSA-N
XLogP3.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
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 (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one?
The IUPAC name of (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one (CID 70645004) is (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one.
What is the SMILES notation for (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one?
The canonical SMILES for (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one is C/C=C1/CC/C(C)=C/C(C)c2[nH]c(=O)ccc2C1(C)N.
What is the InChIKey of (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one?
The InChIKey is ZWSQUNJBYZZZMK-OGNCIKNXSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-13-7-6-11(2)10-12(3)16-14(17(13,4)18)8-9-15(20)19-16/h5,8-10,12H,6-7,18H2,1-4H3,(H,19,20)/b11-10+,13-5-.
What are the key properties of (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one?
(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one is sourced from PubChem (CID 70645004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).