N-ethenyl-3-propan-2-ylidenepyrrol-2-amine

C9H12N2 — CID 129157578

IUPACN-ethenyl-3-propan-2-ylidenepyrrol-2-amine
SMILESC=CNC1=NC=CC1=C(C)C
InChIInChI=1S/C9H12N2/c1-4-10-9-8(7(2)3)5-6-11-9/h4-6H,1H2,2-3H3,(H,10,11)
InChIKeyPTAXHCLUJBNVCZ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.98
Rot. Bonds1

About N-ethenyl-3-propan-2-ylidenepyrrol-2-amine

N-ethenyl-3-propan-2-ylidenepyrrol-2-amine (PubChem CID 129157578) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-ethenyl-3-propan-2-ylidenepyrrol-2-amine.

Molecular Properties

Compound NameN-ethenyl-3-propan-2-ylidenepyrrol-2-amine
PubChem CID129157578
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-ethenyl-3-propan-2-ylidenepyrrol-2-amine
SMILESC=CNC1=NC=CC1=C(C)C
InChIInChI=1S/C9H12N2/c1-4-10-9-8(7(2)3)5-6-11-9/h4-6H,1H2,2-3H3,(H,10,11)
InChIKeyPTAXHCLUJBNVCZ-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-propan-2-ylidenepyrrol-2-amine?
The IUPAC name of N-ethenyl-3-propan-2-ylidenepyrrol-2-amine (CID 129157578) is N-ethenyl-3-propan-2-ylidenepyrrol-2-amine.
What is the SMILES notation for N-ethenyl-3-propan-2-ylidenepyrrol-2-amine?
The canonical SMILES for N-ethenyl-3-propan-2-ylidenepyrrol-2-amine is C=CNC1=NC=CC1=C(C)C.
What is the InChIKey of N-ethenyl-3-propan-2-ylidenepyrrol-2-amine?
The InChIKey is PTAXHCLUJBNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-10-9-8(7(2)3)5-6-11-9/h4-6H,1H2,2-3H3,(H,10,11).
What are the key properties of N-ethenyl-3-propan-2-ylidenepyrrol-2-amine?
N-ethenyl-3-propan-2-ylidenepyrrol-2-amine has a molecular weight of 148.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-propan-2-ylidenepyrrol-2-amine is sourced from PubChem (CID 129157578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).