N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide

C12H19NO — CID 20727724

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCC2CCCC2C1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-11-7-6-9-4-3-5-10(9)8-11/h2,9-11H,1,3-8H2,(H,13,14)
InChIKeyOKTUZCMBVQCCSD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds2

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide (PubChem CID 20727724) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide
PubChem CID20727724
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCC2CCCC2C1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-11-7-6-9-4-3-5-10(9)8-11/h2,9-11H,1,3-8H2,(H,13,14)
InChIKeyOKTUZCMBVQCCSD-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide (CID 20727724) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide is C=CC(=O)NC1CCC2CCCC2C1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide?
The InChIKey is OKTUZCMBVQCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-12(14)13-11-7-6-9-4-3-5-10(9)8-11/h2,9-11H,1,3-8H2,(H,13,14).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide is sourced from PubChem (CID 20727724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).