prop-2-enoic acid;undec-10-enenitrile

C14H23NO2 — CID 118123784

IUPACprop-2-enoic acid;undec-10-enenitrile
SMILESC=CC(=O)O.C=CCCCCCCCCC#N
InChIInChI=1S/C11H19N.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3(4)5/h2H,1,3-10H2;2H,1H2,(H,4,5)
InChIKeyRFCIVRHOYOOXOU-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.07
Rot. Bonds9

About prop-2-enoic acid;undec-10-enenitrile

prop-2-enoic acid;undec-10-enenitrile (PubChem CID 118123784) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is prop-2-enoic acid;undec-10-enenitrile.

Molecular Properties

Compound Nameprop-2-enoic acid;undec-10-enenitrile
PubChem CID118123784
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameprop-2-enoic acid;undec-10-enenitrile
SMILESC=CC(=O)O.C=CCCCCCCCCC#N
InChIInChI=1S/C11H19N.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3(4)5/h2H,1,3-10H2;2H,1H2,(H,4,5)
InChIKeyRFCIVRHOYOOXOU-UHFFFAOYSA-N
XLogP4.07
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oct-7-enenitrile
CID 10909562
butyl prop-2-enoate;undec-10-enenitrile
CID 86725080
4-bromobutanenitrile;prop-2-enoic acid
CID 175406699
tetradeca-4,13-dienenitrile
CID 76548823
undec-10-en-2-ynoic acid
CID 134988381
hex-5-enenitrile;methyl hex-5-enoate
CID 88843727
20-oxoicosanenitrile
CID 54108861
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
tritriacont-32-enoic acid
CID 54063641
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;undec-10-enenitrile?
The IUPAC name of prop-2-enoic acid;undec-10-enenitrile (CID 118123784) is prop-2-enoic acid;undec-10-enenitrile.
What is the SMILES notation for prop-2-enoic acid;undec-10-enenitrile?
The canonical SMILES for prop-2-enoic acid;undec-10-enenitrile is C=CC(=O)O.C=CCCCCCCCCC#N.
What is the InChIKey of prop-2-enoic acid;undec-10-enenitrile?
The InChIKey is RFCIVRHOYOOXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3(4)5/h2H,1,3-10H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;undec-10-enenitrile?
prop-2-enoic acid;undec-10-enenitrile has a molecular weight of 237.34 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;undec-10-enenitrile is sourced from PubChem (CID 118123784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).