ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate

C16H18N2O3 — CID 137260565

IUPACethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
SMILESCCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)17-10-7-8-12-11-5-3-4-6-13(11)15(19)18-14(12)9-10/h7-9,12H,2-6H2,1H3,(H,18,19)/b17-10-
InChIKeyLZGBGRCSSXTRHG-YVLHZVERSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds1

About ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate

ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate (PubChem CID 137260565) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
PubChem CID137260565
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
SMILESCCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)17-10-7-8-12-11-5-3-4-6-13(11)15(19)18-14(12)9-10/h7-9,12H,2-6H2,1H3,(H,18,19)/b17-10-
InChIKeyLZGBGRCSSXTRHG-YVLHZVERSA-N
XLogP2.65
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate (CID 137260565) is ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate is CCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C1=C2CCCC1.
What is the InChIKey of ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate?
The InChIKey is LZGBGRCSSXTRHG-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(20)17-10-7-8-12-11-5-3-4-6-13(11)15(19)18-14(12)9-10/h7-9,12H,2-6H2,1H3,(H,18,19)/b17-10-.
What are the key properties of ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate?
ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate has a molecular weight of 286.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate is sourced from PubChem (CID 137260565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).