(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine

C18H21NO2 — CID 14145926

IUPAC(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine
SMILESCOc1cc2ccc3c(c2cc1OC)C[C@H]1CCCN1C3
InChIInChI=1S/C18H21NO2/c1-20-17-8-12-5-6-13-11-19-7-3-4-14(19)9-15(13)16(12)10-18(17)21-2/h5-6,8,10,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChIKeyYXENMVITHJQZQO-CQSZACIVSA-N
MW283.37 g/mol
LogP3.38
Rot. Bonds2

About (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine

(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine (PubChem CID 14145926) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine.

Molecular Properties

Compound Name(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine
PubChem CID14145926
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine
SMILESCOc1cc2ccc3c(c2cc1OC)C[C@H]1CCCN1C3
InChIInChI=1S/C18H21NO2/c1-20-17-8-12-5-6-13-11-19-7-3-4-14(19)9-15(13)16(12)10-18(17)21-2/h5-6,8,10,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChIKeyYXENMVITHJQZQO-CQSZACIVSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine?
The IUPAC name of (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine (CID 14145926) is (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine.
What is the SMILES notation for (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine?
The canonical SMILES for (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine is COc1cc2ccc3c(c2cc1OC)C[C@H]1CCCN1C3.
What is the InChIKey of (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine?
The InChIKey is YXENMVITHJQZQO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-8-12-5-6-13-11-19-7-3-4-14(19)9-15(13)16(12)10-18(17)21-2/h5-6,8,10,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine?
(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine has a molecular weight of 283.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine is sourced from PubChem (CID 14145926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).