(2H)chlorane;2-methylidenebutanoic acid

C5H9ClO2 — CID 159149807

IUPAC(2H)chlorane;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.[2H]Cl
InChIInChI=1S/C5H8O2.ClH/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);1H/i/hD
InChIKeyKJDCJDRDJJJFSZ-DYCDLGHISA-N
MW137.58 g/mol
LogP1.46
Rot. Bonds2

About (2H)chlorane;2-methylidenebutanoic acid

(2H)chlorane;2-methylidenebutanoic acid (PubChem CID 159149807) has the molecular formula C5H9ClO2 and a molecular weight of 137.58 g/mol. Its IUPAC name is (2H)chlorane;2-methylidenebutanoic acid.

Molecular Properties

Compound Name(2H)chlorane;2-methylidenebutanoic acid
PubChem CID159149807
Molecular FormulaC5H9ClO2
Molecular Weight137.58 g/mol
Exact Mass137.04
IUPAC Name(2H)chlorane;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.[2H]Cl
InChIInChI=1S/C5H8O2.ClH/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);1H/i/hD
InChIKeyKJDCJDRDJJJFSZ-DYCDLGHISA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.58
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2H)chlorane;2-methylidenebutanoic acid 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

carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
lithium;hydride;2-methylidenebutanoic acid
CID 174729708
2-methylidenebutanoic acid;2-methylprop-2-enamide
CID 88685460
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
furan-2,5-dione;2-methylidenebutanoic acid
CID 87835686
2-methylidenebutanoic acid;phenol;hydrate
CID 158804771
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
CID 173207382
2-methylidenebutanoic acid;N-methylmethanamine;methyl 2-methylprop-2-enoate
CID 175091133
2-methylidenebutanoate;2-methylprop-2-enoic acid
CID 22645756
2-methylidenepentanoic acid;hydrate
CID 88770361
3,3-dimethylbut-1-enylbenzene;2-methylidenebutanoic acid
CID 122506202

Frequently Asked Questions

What is the IUPAC name of (2H)chlorane;2-methylidenebutanoic acid?
The IUPAC name of (2H)chlorane;2-methylidenebutanoic acid (CID 159149807) is (2H)chlorane;2-methylidenebutanoic acid.
What is the SMILES notation for (2H)chlorane;2-methylidenebutanoic acid?
The canonical SMILES for (2H)chlorane;2-methylidenebutanoic acid is C=C(CC)C(=O)O.[2H]Cl.
What is the InChIKey of (2H)chlorane;2-methylidenebutanoic acid?
The InChIKey is KJDCJDRDJJJFSZ-DYCDLGHISA-N. The full InChI is InChI=1S/C5H8O2.ClH/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);1H/i/hD.
What are the key properties of (2H)chlorane;2-methylidenebutanoic acid?
(2H)chlorane;2-methylidenebutanoic acid has a molecular weight of 137.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2H)chlorane;2-methylidenebutanoic acid is sourced from PubChem (CID 159149807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).