(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline

C18H26N2 — CID 71016240

IUPAC(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline
SMILESC=c1[nH]cc2c1=C(/C=C\C)[C@H]1CCCN(CCC)[C@@H]1C2
InChIInChI=1S/C18H26N2/c1-4-7-16-15-8-6-10-20(9-5-2)17(15)11-14-12-19-13(3)18(14)16/h4,7,12,15,17,19H,3,5-6,8-11H2,1-2H3/b7-4-/t15-,17-/m1/s1
InChIKeyUNBLDCWLWKFICO-KUTZAVSJSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds3

About (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline

(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline (PubChem CID 71016240) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline
PubChem CID71016240
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline
SMILESC=c1[nH]cc2c1=C(/C=C\C)[C@H]1CCCN(CCC)[C@@H]1C2
InChIInChI=1S/C18H26N2/c1-4-7-16-15-8-6-10-20(9-5-2)17(15)11-14-12-19-13(3)18(14)16/h4,7,12,15,17,19H,3,5-6,8-11H2,1-2H3/b7-4-/t15-,17-/m1/s1
InChIKeyUNBLDCWLWKFICO-KUTZAVSJSA-N
XLogP2.20
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline?
The IUPAC name of (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline (CID 71016240) is (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline is C=c1[nH]cc2c1=C(/C=C\C)[C@H]1CCCN(CCC)[C@@H]1C2.
What is the InChIKey of (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline?
The InChIKey is UNBLDCWLWKFICO-KUTZAVSJSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-7-16-15-8-6-10-20(9-5-2)17(15)11-14-12-19-13(3)18(14)16/h4,7,12,15,17,19H,3,5-6,8-11H2,1-2H3/b7-4-/t15-,17-/m1/s1.
What are the key properties of (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline?
(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline has a molecular weight of 270.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 71016240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).