3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile

C10H17NO — CID 130993262

IUPAC3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(OC(C)C)C1
InChIInChI=1S/C10H17NO/c1-8(2)12-10(7-11)5-4-9(3)6-10/h8-9H,4-6H2,1-3H3
InChIKeyWWODMRKYGXSSLY-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.49
Rot. Bonds2

About 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile

3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile (PubChem CID 130993262) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile
PubChem CID130993262
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(OC(C)C)C1
InChIInChI=1S/C10H17NO/c1-8(2)12-10(7-11)5-4-9(3)6-10/h8-9H,4-6H2,1-3H3
InChIKeyWWODMRKYGXSSLY-UHFFFAOYSA-N
XLogP2.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile (CID 130993262) is 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile is CC1CCC(C#N)(OC(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile?
The InChIKey is WWODMRKYGXSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)12-10(7-11)5-4-9(3)6-10/h8-9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile?
3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 130993262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).