N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide

C15H27NO2 — CID 165458492

IUPACN-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CC2CC(CO)CC21)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-9(15(2,3)4)14(18)16-13-7-11-5-10(8-17)6-12(11)13/h9-13,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyRYDHZVNUNCVISE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.19
Rot. Bonds3

About N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide

N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide (PubChem CID 165458492) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide
PubChem CID165458492
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CC2CC(CO)CC21)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-9(15(2,3)4)14(18)16-13-7-11-5-10(8-17)6-12(11)13/h9-13,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyRYDHZVNUNCVISE-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide (CID 165458492) is N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide is CC(C(=O)NC1CC2CC(CO)CC21)C(C)(C)C.
What is the InChIKey of N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide?
The InChIKey is RYDHZVNUNCVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-9(15(2,3)4)14(18)16-13-7-11-5-10(8-17)6-12(11)13/h9-13,17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide?
N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide has a molecular weight of 253.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 165458492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).