N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H16N2O — CID 123262766

IUPACN-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC=C(C)NC(=O)C1CC2CC2N1
InChIInChI=1S/C10H16N2O/c1-3-6(2)11-10(13)9-5-7-4-8(7)12-9/h3,7-9,12H,4-5H2,1-2H3,(H,11,13)
InChIKeyITZQVLDGJDUQKU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.78
Rot. Bonds2

About N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123262766) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123262766
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC=C(C)NC(=O)C1CC2CC2N1
InChIInChI=1S/C10H16N2O/c1-3-6(2)11-10(13)9-5-7-4-8(7)12-9/h3,7-9,12H,4-5H2,1-2H3,(H,11,13)
InChIKeyITZQVLDGJDUQKU-UHFFFAOYSA-N
XLogP0.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123262766) is N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC=C(C)NC(=O)C1CC2CC2N1.
What is the InChIKey of N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ITZQVLDGJDUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6(2)11-10(13)9-5-7-4-8(7)12-9/h3,7-9,12H,4-5H2,1-2H3,(H,11,13).
What are the key properties of N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123262766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).