(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete

C15H19NO — CID 10059714

IUPAC(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
SMILESC=CCN1C[C@H]2c3c(cccc3OC)CC[C@H]21
InChIInChI=1S/C15H19NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h3-6,12-13H,1,7-10H2,2H3/t12-,13-/m1/s1
InChIKeyFLYJXYQYBLPWIJ-CHWSQXEVSA-N
MW229.32 g/mol
LogP2.60
Rot. Bonds3

About (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete

(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete (PubChem CID 10059714) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete.

Molecular Properties

Compound Name(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
PubChem CID10059714
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
SMILESC=CCN1C[C@H]2c3c(cccc3OC)CC[C@H]21
InChIInChI=1S/C15H19NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h3-6,12-13H,1,7-10H2,2H3/t12-,13-/m1/s1
InChIKeyFLYJXYQYBLPWIJ-CHWSQXEVSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aS,9bR)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 10332035
(3aS,9bS)-6-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720463
(3aR,9bS)-9-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720360
(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
CID 14944884
(4aS,10aS)-9-methoxy-1-prop-2-enyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline;hydrochloride
CID 67768848
(4aR,10aR)-9-methoxy-1-prop-2-enyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline;hydrochloride
CID 67768846
(3aR,9bS)-9-methoxy-3-propyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one
CID 10038193
9-methoxy-2-methyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 23190066
8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
CID 10353264
(4aS,10aS)-9-methoxy-4-prop-2-enyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
CID 44553946
(1S,2S)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67657910
2-[(3aS,9bS)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]acetonitrile
CID 22869353

Frequently Asked Questions

What is the IUPAC name of (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete?
The IUPAC name of (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete (CID 10059714) is (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete.
What is the SMILES notation for (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete?
The canonical SMILES for (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete is C=CCN1C[C@H]2c3c(cccc3OC)CC[C@H]21.
What is the InChIKey of (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete?
The InChIKey is FLYJXYQYBLPWIJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h3-6,12-13H,1,7-10H2,2H3/t12-,13-/m1/s1.
What are the key properties of (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete?
(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete has a molecular weight of 229.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete is sourced from PubChem (CID 10059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).