5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C16H21NO — CID 156837949

IUPAC5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1ccc2c(c1)CC[C@H](N1CC3COCC3C1)C2
InChIInChI=1S/C16H21NO/c1-2-4-13-7-16(6-5-12(13)3-1)17-8-14-10-18-11-15(14)9-17/h1-4,14-16H,5-11H2/t14?,15?,16-/m0/s1
InChIKeyBAOLBSMQQNAQBI-GPANFISMSA-N
MW243.35 g/mol
LogP2.12
Rot. Bonds1

About 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 156837949) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID156837949
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1ccc2c(c1)CC[C@H](N1CC3COCC3C1)C2
InChIInChI=1S/C16H21NO/c1-2-4-13-7-16(6-5-12(13)3-1)17-8-14-10-18-11-15(14)9-17/h1-4,14-16H,5-11H2/t14?,15?,16-/m0/s1
InChIKeyBAOLBSMQQNAQBI-GPANFISMSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 163236345
(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837799
1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313813
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
CID 130275617
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
N-(cyclopropylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
CID 115306943
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61236085

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 156837949) is 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is c1ccc2c(c1)CC[C@H](N1CC3COCC3C1)C2.
What is the InChIKey of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is BAOLBSMQQNAQBI-GPANFISMSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-4-13-7-16(6-5-12(13)3-1)17-8-14-10-18-11-15(14)9-17/h1-4,14-16H,5-11H2/t14?,15?,16-/m0/s1.
What are the key properties of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 243.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 156837949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).