N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide

C12H21NO2 — CID 131879829

IUPACN-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC(O)C[C@@H](C1)C2
InChIInChI=1S/C12H21NO2/c1-8(14)13-7-11-3-9-2-10(4-11)6-12(15)5-9/h9-12,15H,2-7H2,1H3,(H,13,14)/t9-,10+,11?,12?
InChIKeyUZAMVFYHRLONAE-ZYANWLCNSA-N
MW211.30 g/mol
LogP1.31
Rot. Bonds2

About N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide

N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide (PubChem CID 131879829) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide
PubChem CID131879829
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC(O)C[C@@H](C1)C2
InChIInChI=1S/C12H21NO2/c1-8(14)13-7-11-3-9-2-10(4-11)6-12(15)5-9/h9-12,15H,2-7H2,1H3,(H,13,14)/t9-,10+,11?,12?
InChIKeyUZAMVFYHRLONAE-ZYANWLCNSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118428826
N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
CID 123304596
N-[[3-(propan-2-ylamino)cyclobutyl]methyl]acetamide
CID 121357646
(3-hydroxycyclobutyl)methylurea
CID 66005226
2-[acetyl(methyl)amino]-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66007330
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-[(3-ethylcyclohexyl)methyl]acetamide
CID 59811764
1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005658
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
N-(1,3-dioxan-5-ylmethyl)acetamide
CID 67192063
2-amino-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005079
N-(thian-4-ylmethyl)acetamide
CID 91415666

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide?
The IUPAC name of N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide (CID 131879829) is N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide is CC(=O)NCC1C[C@H]2CC(O)C[C@@H](C1)C2.
What is the InChIKey of N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide?
The InChIKey is UZAMVFYHRLONAE-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(14)13-7-11-3-9-2-10(4-11)6-12(15)5-9/h9-12,15H,2-7H2,1H3,(H,13,14)/t9-,10+,11?,12?.
What are the key properties of N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide?
N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide is sourced from PubChem (CID 131879829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).