4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile

C15H26N2 — CID 65090876

IUPAC4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(N2CCCC2)CC1
InChIInChI=1S/C15H26N2/c1-2-6-14-7-5-9-15(13-16,10-8-14)17-11-3-4-12-17/h14H,2-12H2,1H3
InChIKeyXRSCSDAVVQPFPC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.72
Rot. Bonds3

About 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile

4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile (PubChem CID 65090876) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile
PubChem CID65090876
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(N2CCCC2)CC1
InChIInChI=1S/C15H26N2/c1-2-6-14-7-5-9-15(13-16,10-8-14)17-11-3-4-12-17/h14H,2-12H2,1H3
InChIKeyXRSCSDAVVQPFPC-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile?
The IUPAC name of 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile (CID 65090876) is 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile.
What is the SMILES notation for 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile?
The canonical SMILES for 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile is CCCC1CCCC(C#N)(N2CCCC2)CC1.
What is the InChIKey of 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile?
The InChIKey is XRSCSDAVVQPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-14-7-5-9-15(13-16,10-8-14)17-11-3-4-12-17/h14H,2-12H2,1H3.
What are the key properties of 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile?
4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-pyrrolidin-1-ylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65090876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).