(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde

C18H25NO — CID 135012152

IUPAC(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde
SMILESC=CC1=C(C)C=C(C)N2C(C)=C(C)[C@@H](C)[C@@](C)(C=O)[C@@H]12
InChIInChI=1S/C18H25NO/c1-8-16-11(2)9-12(3)19-15(6)13(4)14(5)18(7,10-20)17(16)19/h8-10,14,17H,1H2,2-7H3/t14-,17-,18-/m1/s1
InChIKeyKLLQFBGHBKOZRL-ZTFGCOKTSA-N
MW271.40 g/mol
LogP4.23
Rot. Bonds2

About (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde

(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde (PubChem CID 135012152) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde
PubChem CID135012152
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde
SMILESC=CC1=C(C)C=C(C)N2C(C)=C(C)[C@@H](C)[C@@](C)(C=O)[C@@H]12
InChIInChI=1S/C18H25NO/c1-8-16-11(2)9-12(3)19-15(6)13(4)14(5)18(7,10-20)17(16)19/h8-10,14,17H,1H2,2-7H3/t14-,17-,18-/m1/s1
InChIKeyKLLQFBGHBKOZRL-ZTFGCOKTSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde?
The IUPAC name of (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde (CID 135012152) is (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde.
What is the SMILES notation for (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde?
The canonical SMILES for (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde is C=CC1=C(C)C=C(C)N2C(C)=C(C)[C@@H](C)[C@@](C)(C=O)[C@@H]12.
What is the InChIKey of (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde?
The InChIKey is KLLQFBGHBKOZRL-ZTFGCOKTSA-N. The full InChI is InChI=1S/C18H25NO/c1-8-16-11(2)9-12(3)19-15(6)13(4)14(5)18(7,10-20)17(16)19/h8-10,14,17H,1H2,2-7H3/t14-,17-,18-/m1/s1.
What are the key properties of (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde?
(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde has a molecular weight of 271.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde is sourced from PubChem (CID 135012152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).