N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide

C17H20N2O — CID 16743293

IUPACN-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cn2c3c(cccc13)CCC2)C1CC1
InChIInChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20)
InChIKeyAWZSLCLEVUNXKS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide

N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 16743293) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID16743293
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cn2c3c(cccc13)CCC2)C1CC1
InChIInChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20)
InChIKeyAWZSLCLEVUNXKS-UHFFFAOYSA-N
XLogP2.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide (CID 16743293) is N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide is O=C(NCCc1cn2c3c(cccc13)CCC2)C1CC1.
What is the InChIKey of N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is AWZSLCLEVUNXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20).
What are the key properties of N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide?
N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).