ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

C17H29N3O — CID 142070914

IUPACethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1[nH]c2c(c1/C=C\C)CC(C(N)=O)NC2.CC.CC
InChIInChI=1S/C13H17N3O.2C2H6/c1-3-5-8-9-6-11(13(14)17)15-7-12(9)16-10(8)4-2;2*1-2/h3-5,11,15-16H,2,6-7H2,1H3,(H2,14,17);2*1-2H3/b5-3-;;
InChIKeyZYIATCKFHMMOIB-ORIPCLHRSA-N
MW291.44 g/mol
LogP3.24
Rot. Bonds3

About ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 142070914) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID142070914
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1[nH]c2c(c1/C=C\C)CC(C(N)=O)NC2.CC.CC
InChIInChI=1S/C13H17N3O.2C2H6/c1-3-5-8-9-6-11(13(14)17)15-7-12(9)16-10(8)4-2;2*1-2/h3-5,11,15-16H,2,6-7H2,1H3,(H2,14,17);2*1-2H3/b5-3-;;
InChIKeyZYIATCKFHMMOIB-ORIPCLHRSA-N
XLogP3.24
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 142070914) is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is C=Cc1[nH]c2c(c1/C=C\C)CC(C(N)=O)NC2.CC.CC.
What is the InChIKey of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is ZYIATCKFHMMOIB-ORIPCLHRSA-N. The full InChI is InChI=1S/C13H17N3O.2C2H6/c1-3-5-8-9-6-11(13(14)17)15-7-12(9)16-10(8)4-2;2*1-2/h3-5,11,15-16H,2,6-7H2,1H3,(H2,14,17);2*1-2H3/b5-3-;;.
What are the key properties of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 142070914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).