(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide

C16H20N2O — CID 6529742

IUPAC(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide
SMILESCC12CCCCC1c1ccccc1/C(=C/C(N)=O)N2
InChIInChI=1S/C16H20N2O/c1-16-9-5-4-8-13(16)11-6-2-3-7-12(11)14(18-16)10-15(17)19/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H2,17,19)/b14-10-
InChIKeyZXUFNRCNYYIHLC-UVTDQMKNSA-N
MW256.35 g/mol
LogP2.53
Rot. Bonds1

About (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide

(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide (PubChem CID 6529742) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide
PubChem CID6529742
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide
SMILESCC12CCCCC1c1ccccc1/C(=C/C(N)=O)N2
InChIInChI=1S/C16H20N2O/c1-16-9-5-4-8-13(16)11-6-2-3-7-12(11)14(18-16)10-15(17)19/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H2,17,19)/b14-10-
InChIKeyZXUFNRCNYYIHLC-UVTDQMKNSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide?
The IUPAC name of (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide (CID 6529742) is (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide?
The canonical SMILES for (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide is CC12CCCCC1c1ccccc1/C(=C/C(N)=O)N2.
What is the InChIKey of (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide?
The InChIKey is ZXUFNRCNYYIHLC-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16-9-5-4-8-13(16)11-6-2-3-7-12(11)14(18-16)10-15(17)19/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H2,17,19)/b14-10-.
What are the key properties of (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide?
(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide is sourced from PubChem (CID 6529742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).