benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate

C17H23NO2 — CID 71243330

IUPACbenzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
SMILESO=C(NCC1CCC2(CC1)CC2)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-16(20-13-15-4-2-1-3-5-15)18-12-14-6-8-17(9-7-14)10-11-17/h1-5,14H,6-13H2,(H,18,19)
InChIKeyAJAGMFCWJWROHI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.88
Rot. Bonds4

About benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate

benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate (PubChem CID 71243330) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
PubChem CID71243330
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
SMILESO=C(NCC1CCC2(CC1)CC2)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-16(20-13-15-4-2-1-3-5-15)18-12-14-6-8-17(9-7-14)10-11-17/h1-5,14H,6-13H2,(H,18,19)
InChIKeyAJAGMFCWJWROHI-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
methyl 1-amino-3-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
CID 117272482
benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
CID 166139678
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247

Frequently Asked Questions

What is the IUPAC name of benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate?
The IUPAC name of benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate (CID 71243330) is benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate is O=C(NCC1CCC2(CC1)CC2)OCc1ccccc1.
What is the InChIKey of benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate?
The InChIKey is AJAGMFCWJWROHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(20-13-15-4-2-1-3-5-15)18-12-14-6-8-17(9-7-14)10-11-17/h1-5,14H,6-13H2,(H,18,19).
What are the key properties of benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate?
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate has a molecular weight of 273.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate is sourced from PubChem (CID 71243330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).