1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile

C9H13NO — CID 59471551

IUPAC1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1(CC2CC2)CC(O)C1
InChIInChI=1S/C9H13NO/c10-6-9(3-7-1-2-7)4-8(11)5-9/h7-8,11H,1-5H2
InChIKeyDGVJGJHEXLEUAH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.45
Rot. Bonds2

About 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile

1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile (PubChem CID 59471551) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile
PubChem CID59471551
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1(CC2CC2)CC(O)C1
InChIInChI=1S/C9H13NO/c10-6-9(3-7-1-2-7)4-8(11)5-9/h7-8,11H,1-5H2
InChIKeyDGVJGJHEXLEUAH-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile (CID 59471551) is 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile is N#CC1(CC2CC2)CC(O)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile?
The InChIKey is DGVJGJHEXLEUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-9(3-7-1-2-7)4-8(11)5-9/h7-8,11H,1-5H2.
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile?
1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxycyclobutane-1-carbonitrile is sourced from PubChem (CID 59471551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).