N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide

C10H16N2O — CID 176702448

IUPACN-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CC2(CNC2)C1
InChIInChI=1S/C10H16N2O/c1-2-9(13)12-5-8-3-10(4-8)6-11-7-10/h2,8,11H,1,3-7H2,(H,12,13)
InChIKeyGVBXTMVBTPSYSJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.29
Rot. Bonds3

About N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide

N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide (PubChem CID 176702448) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
PubChem CID176702448
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CC2(CNC2)C1
InChIInChI=1S/C10H16N2O/c1-2-9(13)12-5-8-3-10(4-8)6-11-7-10/h2,8,11H,1,3-7H2,(H,12,13)
InChIKeyGVBXTMVBTPSYSJ-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.29
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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Related Compounds

N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)prop-2-enamide
CID 130949482
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide
CID 140562306
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
CID 173161904
CID 173161904
N-[[2-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methyl]prop-2-enamide
CID 139015515

Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide (CID 176702448) is N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide is C=CC(=O)NCC1CC2(CNC2)C1.
What is the InChIKey of N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide?
The InChIKey is GVBXTMVBTPSYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9(13)12-5-8-3-10(4-8)6-11-7-10/h2,8,11H,1,3-7H2,(H,12,13).
What are the key properties of N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide?
N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176702448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).