N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine

C8H14N2 — CID 139418463

IUPACN-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC/C=C/CNC1=NCCC1
InChIInChI=1S/C8H14N2/c1-2-3-6-9-8-5-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyXBSUABCNNHAYPB-NSCUHMNNSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 139418463) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID139418463
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC/C=C/CNC1=NCCC1
InChIInChI=1S/C8H14N2/c1-2-3-6-9-8-5-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyXBSUABCNNHAYPB-NSCUHMNNSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 139418463) is N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine is C/C=C/CNC1=NCCC1.
What is the InChIKey of N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is XBSUABCNNHAYPB-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-6-9-8-5-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 139418463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).