(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine

C12H17N3 — CID 143300975

IUPAC(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine
SMILESC/C=C1C(=C/NC)\C2C=NC=CC2N\1C
InChIInChI=1S/C12H17N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8,10,12-13H,1-3H3/b9-7-,11-4+
InChIKeyGHGUOYXICOLXJX-WHIYXEERSA-N
MW203.29 g/mol
LogP1.52
Rot. Bonds1

About (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine

(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine (PubChem CID 143300975) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine.

Molecular Properties

Compound Name(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine
PubChem CID143300975
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine
SMILESC/C=C1C(=C/NC)\C2C=NC=CC2N\1C
InChIInChI=1S/C12H17N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8,10,12-13H,1-3H3/b9-7-,11-4+
InChIKeyGHGUOYXICOLXJX-WHIYXEERSA-N
XLogP1.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyridoindole
CID 66976705
Tetrahydro 1h pyrido [4,3]indole
CID 129752664
Tetrahydroazocinoindole
CID 129797648
Tetrahydropyrrolo[3,2-d]azocine
CID 129872444
4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 19434437
5,5a,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 22340385
5,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 67322252
4b,8a,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 69807343
4a,5,5a,9a-tetrahydro-4H-pyrido[4,3-b]indole
CID 91127106
1-Methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 142415629
8-Methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene
CID 143271783
8,11-Dimethyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),3,5,9-tetraene;ethane
CID 143271822

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine?
The IUPAC name of (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine (CID 143300975) is (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine.
What is the SMILES notation for (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine?
The canonical SMILES for (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine is C/C=C1C(=C/NC)\C2C=NC=CC2N\1C.
What is the InChIKey of (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine?
The InChIKey is GHGUOYXICOLXJX-WHIYXEERSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8,10,12-13H,1-3H3/b9-7-,11-4+.
What are the key properties of (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine?
(1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2E)-2-ethylidene-1-methyl-3a,7a-dihydropyrrolo[3,2-c]pyridin-3-ylidene]-N-methylmethanamine is sourced from PubChem (CID 143300975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).