N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide

C10H15NO3 — CID 136588924

IUPACN-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1C[C@@H]2COC[C@@H]2O1
InChIInChI=1S/C10H15NO3/c1-2-10(12)11-4-8-3-7-5-13-6-9(7)14-8/h2,7-9H,1,3-6H2,(H,11,12)/t7-,8?,9+/m1/s1
InChIKeyJOUSNGYZGNYCOD-NBXIYJJMSA-N
MW197.23 g/mol
LogP0.09
Rot. Bonds3

About N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide

N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide (PubChem CID 136588924) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide
PubChem CID136588924
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1C[C@@H]2COC[C@@H]2O1
InChIInChI=1S/C10H15NO3/c1-2-10(12)11-4-8-3-7-5-13-6-9(7)14-8/h2,7-9H,1,3-6H2,(H,11,12)/t7-,8?,9+/m1/s1
InChIKeyJOUSNGYZGNYCOD-NBXIYJJMSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide with MolForge

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Related Compounds

2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
CID 170910390
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride
CID 165459173
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
CID 165486116
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide
CID 140562306
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-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]prop-2-enamide
CID 118661257
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)prop-2-enamide
CID 130949482
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide (CID 136588924) is N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide is C=CC(=O)NCC1C[C@@H]2COC[C@@H]2O1.
What is the InChIKey of N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide?
The InChIKey is JOUSNGYZGNYCOD-NBXIYJJMSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-10(12)11-4-8-3-7-5-13-6-9(7)14-8/h2,7-9H,1,3-6H2,(H,11,12)/t7-,8?,9+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide?
N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 136588924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).