N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide

C12H20N2O — CID 146427444

IUPACN-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
SMILESCCN1CC(NC(=O)C2CC3CC2C3)C1
InChIInChI=1S/C12H20N2O/c1-2-14-6-10(7-14)13-12(15)11-5-8-3-9(11)4-8/h8-11H,2-7H2,1H3,(H,13,15)
InChIKeySRNFJXIGHCRRBM-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.85
Rot. Bonds3

About N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide

N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide (PubChem CID 146427444) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
PubChem CID146427444
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
SMILESCCN1CC(NC(=O)C2CC3CC2C3)C1
InChIInChI=1S/C12H20N2O/c1-2-14-6-10(7-14)13-12(15)11-5-8-3-9(11)4-8/h8-11H,2-7H2,1H3,(H,13,15)
InChIKeySRNFJXIGHCRRBM-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide?
The IUPAC name of N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide (CID 146427444) is N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide.
What is the SMILES notation for N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide?
The canonical SMILES for N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide is CCN1CC(NC(=O)C2CC3CC2C3)C1.
What is the InChIKey of N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide?
The InChIKey is SRNFJXIGHCRRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14-6-10(7-14)13-12(15)11-5-8-3-9(11)4-8/h8-11H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide?
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide is sourced from PubChem (CID 146427444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).