2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile

C10H11N3 — CID 89293977

IUPAC2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile
SMILESC=CNC1=NC=C(CC#N)/C1=C/C
InChIInChI=1S/C10H11N3/c1-3-9-8(5-6-11)7-13-10(9)12-4-2/h3-4,7H,2,5H2,1H3,(H,12,13)/b9-3-
InChIKeyZDANMXGIMGZXEN-OQFOIZHKSA-N
MW173.22 g/mol
LogP1.88
Rot. Bonds2

About 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile

2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile (PubChem CID 89293977) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile
PubChem CID89293977
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile
SMILESC=CNC1=NC=C(CC#N)/C1=C/C
InChIInChI=1S/C10H11N3/c1-3-9-8(5-6-11)7-13-10(9)12-4-2/h3-4,7H,2,5H2,1H3,(H,12,13)/b9-3-
InChIKeyZDANMXGIMGZXEN-OQFOIZHKSA-N
XLogP1.88
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile?
The IUPAC name of 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile (CID 89293977) is 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile.
What is the SMILES notation for 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile?
The canonical SMILES for 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile is C=CNC1=NC=C(CC#N)/C1=C/C.
What is the InChIKey of 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile?
The InChIKey is ZDANMXGIMGZXEN-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-9-8(5-6-11)7-13-10(9)12-4-2/h3-4,7H,2,5H2,1H3,(H,12,13)/b9-3-.
What are the key properties of 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile?
2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile is sourced from PubChem (CID 89293977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).