N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine

C7H12N2 — CID 23542083

IUPACN-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=CCNC1=NCCC1
InChIInChI=1S/C7H12N2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2,(H,8,9)
InChIKeyAOVPAVAOBXSGSX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

About N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine

N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 23542083) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID23542083
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=CCNC1=NCCC1
InChIInChI=1S/C7H12N2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2,(H,8,9)
InChIKeyAOVPAVAOBXSGSX-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
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-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine (CID 23542083) is N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine is C=CCNC1=NCCC1.
What is the InChIKey of N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is AOVPAVAOBXSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2,(H,8,9).
What are the key properties of N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 23542083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).