N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine

C10H16N2 — CID 79504468

IUPACN-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1=CCC(NC2=NCCC2)CC1
InChIInChI=1S/C10H16N2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-2,9H,3-8H2,(H,11,12)
InChIKeyPJISMKDAXLABJG-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.88
Rot. Bonds1

About N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine

N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79504468) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79504468
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1=CCC(NC2=NCCC2)CC1
InChIInChI=1S/C10H16N2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-2,9H,3-8H2,(H,11,12)
InChIKeyPJISMKDAXLABJG-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.88
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-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine (CID 79504468) is N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine is C1=CCC(NC2=NCCC2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is PJISMKDAXLABJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-2,9H,3-8H2,(H,11,12).
What are the key properties of N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 164.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79504468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).