2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol

C9H14N2O — CID 91056114

IUPAC2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol
SMILESC=c1cc[nH]c1=CCNCCO
InChIInChI=1S/C9H14N2O/c1-8-2-5-11-9(8)3-4-10-6-7-12/h2-3,5,10-12H,1,4,6-7H2
InChIKeyVRNVQBXKFINGEK-UHFFFAOYSA-N
MW166.22 g/mol
LogP-1.21
Rot. Bonds4

About 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol

2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol (PubChem CID 91056114) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol
PubChem CID91056114
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol
SMILESC=c1cc[nH]c1=CCNCCO
InChIInChI=1S/C9H14N2O/c1-8-2-5-11-9(8)3-4-10-6-7-12/h2-3,5,10-12H,1,4,6-7H2
InChIKeyVRNVQBXKFINGEK-UHFFFAOYSA-N
XLogP-1.21
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol (CID 91056114) is 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol is C=c1cc[nH]c1=CCNCCO.
What is the InChIKey of 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol?
The InChIKey is VRNVQBXKFINGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-2-5-11-9(8)3-4-10-6-7-12/h2-3,5,10-12H,1,4,6-7H2.
What are the key properties of 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol?
2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol has a molecular weight of 166.22 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylidene-1H-pyrrol-2-ylidene)ethylamino]ethanol is sourced from PubChem (CID 91056114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).