3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine

C10H15ClN4 — CID 156802690

IUPAC3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine
SMILESCC1NCCc2[nH]c(N)c(/C=C(\N)Cl)c21
InChIInChI=1S/C10H15ClN4/c1-5-9-6(4-8(11)12)10(13)15-7(9)2-3-14-5/h4-5,14-15H,2-3,12-13H2,1H3/b8-4-
InChIKeyCWAKATWNJPODQF-YWEYNIOJSA-N
MW226.71 g/mol
LogP1.30
Rot. Bonds1

About 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine

3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine (PubChem CID 156802690) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine.

Molecular Properties

Compound Name3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine
PubChem CID156802690
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine
SMILESCC1NCCc2[nH]c(N)c(/C=C(\N)Cl)c21
InChIInChI=1S/C10H15ClN4/c1-5-9-6(4-8(11)12)10(13)15-7(9)2-3-14-5/h4-5,14-15H,2-3,12-13H2,1H3/b8-4-
InChIKeyCWAKATWNJPODQF-YWEYNIOJSA-N
XLogP1.30
TPSA79.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 167284551
2-[(Z)-1-amino-2-[2-amino-4-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613236
2-[(Z)-1-amino-2-[(4R)-2-amino-4-methyl-5-(5-piperidin-4-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol;ethane
CID 170613684
2-[(Z)-1-amino-2-(2-amino-4-methyl-5-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166459136
9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197165
2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 83846003
6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;2,2,2-trifluoroacetic acid
CID 170170092
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84702416
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 166459652

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine?
The IUPAC name of 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine (CID 156802690) is 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine.
What is the SMILES notation for 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine?
The canonical SMILES for 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine is CC1NCCc2[nH]c(N)c(/C=C(\N)Cl)c21.
What is the InChIKey of 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine?
The InChIKey is CWAKATWNJPODQF-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-5-9-6(4-8(11)12)10(13)15-7(9)2-3-14-5/h4-5,14-15H,2-3,12-13H2,1H3/b8-4-.
What are the key properties of 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine?
3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 1.30, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine is sourced from PubChem (CID 156802690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).