(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile

C14H7NO — CID 134937250

IUPAC(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile
SMILESN#C/C=c1/c(=O)c2cccc3cccc1c32
InChIInChI=1S/C14H7NO/c15-8-7-11-10-5-1-3-9-4-2-6-12(13(9)10)14(11)16/h1-7H/b11-7+
InChIKeyVPCQSNNIEGVIHF-YRNVUSSQSA-N
MW205.22 g/mol
LogP1.81
Rot. Bonds

About (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile

(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile (PubChem CID 134937250) has the molecular formula C14H7NO and a molecular weight of 205.22 g/mol. Its IUPAC name is (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile
PubChem CID134937250
Molecular FormulaC14H7NO
Molecular Weight205.22 g/mol
Exact Mass205.05
IUPAC Name(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile
SMILESN#C/C=c1/c(=O)c2cccc3cccc1c32
InChIInChI=1S/C14H7NO/c15-8-7-11-10-5-1-3-9-4-2-6-12(13(9)10)14(11)16/h1-7H/b11-7+
InChIKeyVPCQSNNIEGVIHF-YRNVUSSQSA-N
XLogP1.81
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hexacyclo[13.7.1.13,7.02,13.019,23.011,24]tetracosa-1(22),2(13),3,5,7(24),8,10,15,17,19(23),20-undecaene-12,14-dione
CID 11121132
2-(anilinomethylidene)phenalene-1,3-dione
CID 2784814
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
perylene diisocyanate
CID 21242736
furan-2,5-dione;perylene
CID 159629653
2-thiapentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-12-one
CID 2824941
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
octacyclo[13.13.0.02,7.03,27.09,14.013,17.016,21.023,28]octacosa-1(15),2,4,6,9,11,13,16,18,20,23,25,27-tridecaene-8,22-dione
CID 146168507
16-phosphahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
CID 163662385
carbamoylurea;perylene-3-carbonitrile
CID 87962233
1-(2-phenalen-1-ylideneethenylidene)phenalene
CID 86022953
acetic acid;perylene
CID 175230474

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile?
The IUPAC name of (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile (CID 134937250) is (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile?
The canonical SMILES for (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile is N#C/C=c1/c(=O)c2cccc3cccc1c32.
What is the InChIKey of (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile?
The InChIKey is VPCQSNNIEGVIHF-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H7NO/c15-8-7-11-10-5-1-3-9-4-2-6-12(13(9)10)14(11)16/h1-7H/b11-7+.
What are the key properties of (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile?
(2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile has a molecular weight of 205.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-oxoacenaphthylen-1-ylidene)acetonitrile is sourced from PubChem (CID 134937250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).