1-pent-3-ynylpyrrolidine-2-carbonitrile

C10H14N2 — CID 104807705

IUPAC1-pent-3-ynylpyrrolidine-2-carbonitrile
SMILESCC#CCCN1CCCC1C#N
InChIInChI=1S/C10H14N2/c1-2-3-4-7-12-8-5-6-10(12)9-11/h10H,4-8H2,1H3
InChIKeyHNSPIIZSLMDCHK-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.39
Rot. Bonds2

About 1-pent-3-ynylpyrrolidine-2-carbonitrile

1-pent-3-ynylpyrrolidine-2-carbonitrile (PubChem CID 104807705) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-pent-3-ynylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-pent-3-ynylpyrrolidine-2-carbonitrile
PubChem CID104807705
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-pent-3-ynylpyrrolidine-2-carbonitrile
SMILESCC#CCCN1CCCC1C#N
InChIInChI=1S/C10H14N2/c1-2-3-4-7-12-8-5-6-10(12)9-11/h10H,4-8H2,1H3
InChIKeyHNSPIIZSLMDCHK-UHFFFAOYSA-N
XLogP1.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-3-ynylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-pent-3-ynylpyrrolidine-2-carbonitrile (CID 104807705) is 1-pent-3-ynylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-pent-3-ynylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-pent-3-ynylpyrrolidine-2-carbonitrile is CC#CCCN1CCCC1C#N.
What is the InChIKey of 1-pent-3-ynylpyrrolidine-2-carbonitrile?
The InChIKey is HNSPIIZSLMDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-4-7-12-8-5-6-10(12)9-11/h10H,4-8H2,1H3.
What are the key properties of 1-pent-3-ynylpyrrolidine-2-carbonitrile?
1-pent-3-ynylpyrrolidine-2-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-ynylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 104807705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).