(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile

C14H21NO — CID 102254385

IUPAC(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile
SMILESN#C/C1=C\C=C/CCCCCCCCC1O
InChIInChI=1S/C14H21NO/c15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)16/h6,8,10,14,16H,1-5,7,9,11H2/b8-6-,13-10+
InChIKeyMXTMZWXEVRWRLT-WLPHGBIISA-N
MW219.33 g/mol
LogP3.49
Rot. Bonds

About (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile

(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile (PubChem CID 102254385) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile
PubChem CID102254385
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile
SMILESN#C/C1=C\C=C/CCCCCCCCC1O
InChIInChI=1S/C14H21NO/c15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)16/h6,8,10,14,16H,1-5,7,9,11H2/b8-6-,13-10+
InChIKeyMXTMZWXEVRWRLT-WLPHGBIISA-N
XLogP3.49
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile?
The IUPAC name of (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile (CID 102254385) is (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile.
What is the SMILES notation for (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile?
The canonical SMILES for (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile is N#C/C1=C\C=C/CCCCCCCCC1O.
What is the InChIKey of (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile?
The InChIKey is MXTMZWXEVRWRLT-WLPHGBIISA-N. The full InChI is InChI=1S/C14H21NO/c15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)16/h6,8,10,14,16H,1-5,7,9,11H2/b8-6-,13-10+.
What are the key properties of (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile?
(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile has a molecular weight of 219.33 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile is sourced from PubChem (CID 102254385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).