(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine

C18H27N3 — CID 89189652

IUPAC(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine
SMILESC=CC1=c2c(c[nH]/c2=C/C)C[C@]2(N)C1CCCN2CCC
InChIInChI=1S/C18H27N3/c1-4-9-21-10-7-8-15-14(5-2)17-13(11-18(15,21)19)12-20-16(17)6-3/h5-6,12,15,20H,2,4,7-11,19H2,1,3H3/b16-6+/t15?,18-/m1/s1
InChIKeyFCMPTZZHXFCSES-XJJDICEQSA-N
MW285.44 g/mol
LogP1.48
Rot. Bonds3

About (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine

(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine (PubChem CID 89189652) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine.

Molecular Properties

Compound Name(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine
PubChem CID89189652
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine
SMILESC=CC1=c2c(c[nH]/c2=C/C)C[C@]2(N)C1CCCN2CCC
InChIInChI=1S/C18H27N3/c1-4-9-21-10-7-8-15-14(5-2)17-13(11-18(15,21)19)12-20-16(17)6-3/h5-6,12,15,20H,2,4,7-11,19H2,1,3H3/b16-6+/t15?,18-/m1/s1
InChIKeyFCMPTZZHXFCSES-XJJDICEQSA-N
XLogP1.48
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine?
The IUPAC name of (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine (CID 89189652) is (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine.
What is the SMILES notation for (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine?
The canonical SMILES for (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine is C=CC1=c2c(c[nH]/c2=C/C)C[C@]2(N)C1CCCN2CCC.
What is the InChIKey of (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine?
The InChIKey is FCMPTZZHXFCSES-XJJDICEQSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-9-21-10-7-8-15-14(5-2)17-13(11-18(15,21)19)12-20-16(17)6-3/h5-6,12,15,20H,2,4,7-11,19H2,1,3H3/b16-6+/t15?,18-/m1/s1.
What are the key properties of (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine?
(6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine has a molecular weight of 285.44 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9aR)-5-ethenyl-6-ethylidene-1-propyl-2,3,4,4a,7,9-hexahydropyrrolo[3,4-g]quinolin-9a-amine is sourced from PubChem (CID 89189652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).