(Z)-3-amino-2-methylprop-2-enethial

C4H7NS — CID 89371085

IUPAC(Z)-3-amino-2-methylprop-2-enethial
SMILESC/C(C=S)=C/N
InChIInChI=1S/C4H7NS/c1-4(2-5)3-6/h2-3H,5H2,1H3/b4-2-
InChIKeyHVMSQFRUKFPFBE-RQOWECAXSA-N
MW101.17 g/mol
LogP0.85
Rot. Bonds1

About (Z)-3-amino-2-methylprop-2-enethial

(Z)-3-amino-2-methylprop-2-enethial (PubChem CID 89371085) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is (Z)-3-amino-2-methylprop-2-enethial.

Molecular Properties

Compound Name(Z)-3-amino-2-methylprop-2-enethial
PubChem CID89371085
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name(Z)-3-amino-2-methylprop-2-enethial
SMILESC/C(C=S)=C/N
InChIInChI=1S/C4H7NS/c1-4(2-5)3-6/h2-3H,5H2,1H3/b4-2-
InChIKeyHVMSQFRUKFPFBE-RQOWECAXSA-N
XLogP0.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
CID 145443397
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
(E)-3-amino-2-methylprop-2-enal;propane
CID 142388236
2-chloroprop-1-en-1-amine
CID 151379752
2-oxopropanethial
CID 18364311
2-methylprop-2-enethial
CID 54224376
(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine
CID 144538386
ethanethioamide;2-sulfanylideneacetamide
CID 87924059
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
CID 88568702
ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine
CID 142076932
(Z)-2-methyl-4-methylidene-5-oxohex-2-enethial
CID 156716767

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-methylprop-2-enethial?
The IUPAC name of (Z)-3-amino-2-methylprop-2-enethial (CID 89371085) is (Z)-3-amino-2-methylprop-2-enethial.
What is the SMILES notation for (Z)-3-amino-2-methylprop-2-enethial?
The canonical SMILES for (Z)-3-amino-2-methylprop-2-enethial is C/C(C=S)=C/N.
What is the InChIKey of (Z)-3-amino-2-methylprop-2-enethial?
The InChIKey is HVMSQFRUKFPFBE-RQOWECAXSA-N. The full InChI is InChI=1S/C4H7NS/c1-4(2-5)3-6/h2-3H,5H2,1H3/b4-2-.
What are the key properties of (Z)-3-amino-2-methylprop-2-enethial?
(Z)-3-amino-2-methylprop-2-enethial has a molecular weight of 101.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-methylprop-2-enethial is sourced from PubChem (CID 89371085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).