[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid

C11H17NO3 — CID 141189897

IUPAC[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid
SMILESO=C(O)NC12CC3CC1CC(CO)(C3)C2
InChIInChI=1S/C11H17NO3/c13-6-10-2-7-1-8(4-10)11(3-7,5-10)12-9(14)15/h7-8,12-13H,1-6H2,(H,14,15)
InChIKeySPBAKGYJYSZNSR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.20
Rot. Bonds2

About [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid

[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid (PubChem CID 141189897) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid
PubChem CID141189897
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid
SMILESO=C(O)NC12CC3CC1CC(CO)(C3)C2
InChIInChI=1S/C11H17NO3/c13-6-10-2-7-1-8(4-10)11(3-7,5-10)12-9(14)15/h7-8,12-13H,1-6H2,(H,14,15)
InChIKeySPBAKGYJYSZNSR-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid
CID 68714061
1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine
CID 59374975
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
CID 853564
butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate
CID 131739688
[3-(hydroxymethyl)-1-adamantyl]methyl 2,2-difluoroacetate
CID 58225798
1-adamantylmethanol;hydrochloride
CID 141053946
[(8R)-6-tetracyclo[4.3.1.11,4.02,8]undecanyl]methanol
CID 163953655
[3-(trinitromethyl)-1-adamantyl]methanol
CID 15025051
[3-(hydroxymethyl)-1-adamantyl] 2-methylbutanoate
CID 58887213
tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
CID 67017894
[3-(hydroxymethyl)-1-adamantyl]methyl 2-(2-bromoacetyl)oxyacetate
CID 87180153
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid?
The IUPAC name of [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid (CID 141189897) is [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid.
What is the SMILES notation for [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid?
The canonical SMILES for [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid is O=C(O)NC12CC3CC1CC(CO)(C3)C2.
What is the InChIKey of [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid?
The InChIKey is SPBAKGYJYSZNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-6-10-2-7-1-8(4-10)11(3-7,5-10)12-9(14)15/h7-8,12-13H,1-6H2,(H,14,15).
What are the key properties of [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid?
[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid has a molecular weight of 211.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid is sourced from PubChem (CID 141189897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).