3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane

Name: 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₅N — CID 171511357

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane

SMILESCC.CC1(C)CC(C#N)C1.CCC

InChIInChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3

InChIKeyIOHYCKVYHTVKSW-UHFFFAOYSA-N

MW183.34 g/mol

LogP4.39

Rot. Bonds

About 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane

3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane (PubChem CID 171511357) has the molecular formula C₁₂H₂₅N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane.

Molecular Properties

Compound Name	3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
PubChem CID	171511357
Molecular Formula	C₁₂H₂₅N
Molecular Weight	183.34 g/mol
Exact Mass	183.20
IUPAC Name	3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
SMILES	CC.CC1(C)CC(C#N)C1.CCC
InChI	InChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKey	IOHYCKVYHTVKSW-UHFFFAOYSA-N
XLogP	4.39
TPSA	23.79 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.34
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?

The IUPAC name of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane (CID 171511357) is 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane.

What is the SMILES notation for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?

The canonical SMILES for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane is CC.CC1(C)CC(C#N)C1.CCC.

What is the InChIKey of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?

The InChIKey is IOHYCKVYHTVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3.

What are the key properties of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?

3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane has a molecular weight of 183.34 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane is sourced from PubChem (CID 171511357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171511357 — identifiers, structure, computed properties (public domain)

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