(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

C14H19NO — CID 153287568

IUPAC(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESCc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21
InChIInChI=1S/C14H19NO/c1-9-6-10(2)13-11-4-5-15-14(11,3)8-16-12(13)7-9/h6-7,11,15H,4-5,8H2,1-3H3/t11-,14+/m0/s1
InChIKeySXDNKQKMHDBAAG-SMDDNHRTSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds

About (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (PubChem CID 153287568) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
PubChem CID153287568
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESCc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21
InChIInChI=1S/C14H19NO/c1-9-6-10(2)13-11-4-5-15-14(11,3)8-16-12(13)7-9/h6-7,11,15H,4-5,8H2,1-3H3/t11-,14+/m0/s1
InChIKeySXDNKQKMHDBAAG-SMDDNHRTSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 10262307
(3aS,9bS)-3a-methyl-8-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 153287539
(3aS,9bS)-3,3a-dimethyl-6-phenyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrole
CID 153287541
(3aS,9bS)-3a-methyl-6-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 153287542
(3aS,9bS)-8-methoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 155557042
(3aS,9aR)-5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 10035788
(3aS,9bS)-7,9-dimethoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 155519891
6,7-Dimethyl-3,4-dihydro-2H-1-benzopyran-3-amine--hydrogen chloride (1/1)
CID 217215
(4aR,11bR)-3,4,4a,5,6,8,9,11b-octahydro-2H-[1]benzofuro[5,6-h][1,4]benzoxazine
CID 44382163
(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 45265582
3-Chromanamine, N-ethyl-7-methyl-, hydrochloride
CID 3042823
rac-(2R,6S)-8-oxa-4-azatricyclo(7.4.0.0,2,6)trideca-1(13),9,11-triene
CID 70205862

Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The IUPAC name of (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (CID 153287568) is (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.
What is the SMILES notation for (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The canonical SMILES for (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21.
What is the InChIKey of (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The InChIKey is SXDNKQKMHDBAAG-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-6-10(2)13-11-4-5-15-14(11,3)8-16-12(13)7-9/h6-7,11,15H,4-5,8H2,1-3H3/t11-,14+/m0/s1.
What are the key properties of (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole has a molecular weight of 217.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is sourced from PubChem (CID 153287568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).