N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

C15H21NO2 — CID 20727711

IUPACN-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C3CC(O)C(C3)C21
InChIInChI=1S/C15H21NO2/c1-2-13(18)16-11-5-7-3-9(11)14-8-4-10(15(7)14)12(17)6-8/h2,7-12,14-15,17H,1,3-6H2,(H,16,18)
InChIKeyAWFCMMRLMZZKFE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.33
Rot. Bonds2

About N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (PubChem CID 20727711) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
PubChem CID20727711
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C3CC(O)C(C3)C21
InChIInChI=1S/C15H21NO2/c1-2-13(18)16-11-5-7-3-9(11)14-8-4-10(15(7)14)12(17)6-8/h2,7-12,14-15,17H,1,3-6H2,(H,16,18)
InChIKeyAWFCMMRLMZZKFE-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The IUPAC name of N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (CID 20727711) is N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.
What is the SMILES notation for N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The canonical SMILES for N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is C=CC(=O)NC1CC2CC1C1C3CC(O)C(C3)C21.
What is the InChIKey of N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The InChIKey is AWFCMMRLMZZKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-13(18)16-11-5-7-3-9(11)14-8-4-10(15(7)14)12(17)6-8/h2,7-12,14-15,17H,1,3-6H2,(H,16,18).
What are the key properties of N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is sourced from PubChem (CID 20727711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).