1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid

C12H16N2O2 — CID 67722787

IUPAC1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
SMILESNC(=O)O.c1ccc2c(c1)CC1NCCC21
InChIInChI=1S/C11H13N.CH3NO2/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11;2-1(3)4/h1-4,10-12H,5-7H2;2H2,(H,3,4)
InChIKeyPYCSDRGSYDRNTD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds

About 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid

1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid (PubChem CID 67722787) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid.

Molecular Properties

Compound Name1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
PubChem CID67722787
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
SMILESNC(=O)O.c1ccc2c(c1)CC1NCCC21
InChIInChI=1S/C11H13N.CH3NO2/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11;2-1(3)4/h1-4,10-12H,5-7H2;2H2,(H,3,4)
InChIKeyPYCSDRGSYDRNTD-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid?
The IUPAC name of 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid (CID 67722787) is 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid.
What is the SMILES notation for 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid?
The canonical SMILES for 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid is NC(=O)O.c1ccc2c(c1)CC1NCCC21.
What is the InChIKey of 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid?
The InChIKey is PYCSDRGSYDRNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.CH3NO2/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11;2-1(3)4/h1-4,10-12H,5-7H2;2H2,(H,3,4).
What are the key properties of 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid?
1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid has a molecular weight of 220.27 g/mol, XLogP of 1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid is sourced from PubChem (CID 67722787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).