6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid

C15H19NO3 — CID 19106967

IUPAC6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C12CCCCC1COc1ccccc12
InChIInChI=1S/C15H19NO3/c1-16(14(17)18)15-9-5-4-6-11(15)10-19-13-8-3-2-7-12(13)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyPHVLTNSOMXBIJG-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.07
Rot. Bonds1

About 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid

6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid (PubChem CID 19106967) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid.

Molecular Properties

Compound Name6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid
PubChem CID19106967
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C12CCCCC1COc1ccccc12
InChIInChI=1S/C15H19NO3/c1-16(14(17)18)15-9-5-4-6-11(15)10-19-13-8-3-2-7-12(13)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyPHVLTNSOMXBIJG-UHFFFAOYSA-N
XLogP3.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid?
The IUPAC name of 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid (CID 19106967) is 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid.
What is the SMILES notation for 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid?
The canonical SMILES for 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid is CN(C(=O)O)C12CCCCC1COc1ccccc12.
What is the InChIKey of 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid?
The InChIKey is PHVLTNSOMXBIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(14(17)18)15-9-5-4-6-11(15)10-19-13-8-3-2-7-12(13)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,17,18).
What are the key properties of 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid?
6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid has a molecular weight of 261.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl(methyl)carbamic acid is sourced from PubChem (CID 19106967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).