2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene

C24H27NO2 — CID 67581817

IUPAC2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
SMILESC=C(C)C(=O)O.C=C(C)c1ccccc1.C=CC#N.C=Cc1ccccc1
InChIInChI=1S/C9H10.C8H8.C4H6O2.C3H3N/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2-3-4/h3-7H,1H2,2H3;2-7H,1H2;1H2,2H3,(H,5,6);2H,1H2
InChIKeyQKUGNNKKCQFQMS-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.39
Rot. Bonds3

About 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene

2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene (PubChem CID 67581817) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
PubChem CID67581817
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
SMILESC=C(C)C(=O)O.C=C(C)c1ccccc1.C=CC#N.C=Cc1ccccc1
InChIInChI=1S/C9H10.C8H8.C4H6O2.C3H3N/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2-3-4/h3-7H,1H2,2H3;2-7H,1H2;1H2,2H3,(H,5,6);2H,1H2
InChIKeyQKUGNNKKCQFQMS-UHFFFAOYSA-N
XLogP6.39
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

buta-1,3-diene;bis(prop-2-enenitrile);prop-1-en-2-ylbenzene;styrene
CID 173419899
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
1-phenylpyrrole-2,5-dione;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
CID 170852302
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
carbonic acid;prop-2-enenitrile;styrene
CID 69021114
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
prop-2-enenitrile;styrene
CID 69431186
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
anthracene;2-methylprop-2-enoic acid;styrene
CID 159809199
2-methylidenehexanoic acid;prop-2-enenitrile;prop-2-enoic acid;styrene
CID 68639741

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene?
The IUPAC name of 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene (CID 67581817) is 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene.
What is the SMILES notation for 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene?
The canonical SMILES for 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene is C=C(C)C(=O)O.C=C(C)c1ccccc1.C=CC#N.C=Cc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene?
The InChIKey is QKUGNNKKCQFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H8.C4H6O2.C3H3N/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2-3-4/h3-7H,1H2,2H3;2-7H,1H2;1H2,2H3,(H,5,6);2H,1H2.
What are the key properties of 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene?
2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene has a molecular weight of 361.49 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene is sourced from PubChem (CID 67581817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).