1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate

C16H23NO4 — CID 68502130

IUPAC1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
SMILESO=C(NC(=O)OC12CCC(CC1)C2)OC12CCC(CC1)C2
InChIInChI=1S/C16H23NO4/c18-13(20-15-5-1-11(9-15)2-6-15)17-14(19)21-16-7-3-12(10-16)4-8-16/h11-12H,1-10H2,(H,17,18,19)
InChIKeyRRAWTCREONFBCA-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.51
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate

1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate (PubChem CID 68502130) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
PubChem CID68502130
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
SMILESO=C(NC(=O)OC12CCC(CC1)C2)OC12CCC(CC1)C2
InChIInChI=1S/C16H23NO4/c18-13(20-15-5-1-11(9-15)2-6-15)17-14(19)21-16-7-3-12(10-16)4-8-16/h11-12H,1-10H2,(H,17,18,19)
InChIKeyRRAWTCREONFBCA-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate (CID 68502130) is 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate is O=C(NC(=O)OC12CCC(CC1)C2)OC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate?
The InChIKey is RRAWTCREONFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-13(20-15-5-1-11(9-15)2-6-15)17-14(19)21-16-7-3-12(10-16)4-8-16/h11-12H,1-10H2,(H,17,18,19).
What are the key properties of 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate?
1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate is sourced from PubChem (CID 68502130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).