(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide

C13H14N6O — CID 172977594

IUPAC(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc2c(c1)CC(=O)N2CC
InChIInChI=1S/C13H14N6O/c1-2-19-11-4-3-9(5-8(11)6-12(19)20)17-18-10(7-14)13(15)16/h3-5,17H,2,6H2,1H3,(H3,15,16)/b18-10+
InChIKeyLZEIINXWUHYWOZ-VCHYOVAHSA-N
MW270.30 g/mol
LogP0.82
Rot. Bonds4

About (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide (PubChem CID 172977594) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide
PubChem CID172977594
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc2c(c1)CC(=O)N2CC
InChIInChI=1S/C13H14N6O/c1-2-19-11-4-3-9(5-8(11)6-12(19)20)17-18-10(7-14)13(15)16/h3-5,17H,2,6H2,1H3,(H3,15,16)/b18-10+
InChIKeyLZEIINXWUHYWOZ-VCHYOVAHSA-N
XLogP0.82
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide (CID 172977594) is (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc2c(c1)CC(=O)N2CC.
What is the InChIKey of (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The InChIKey is LZEIINXWUHYWOZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C13H14N6O/c1-2-19-11-4-3-9(5-8(11)6-12(19)20)17-18-10(7-14)13(15)16/h3-5,17H,2,6H2,1H3,(H3,15,16)/b18-10+.
What are the key properties of (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide has a molecular weight of 270.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172977594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).