trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

C10H18N2O — CID 2384205

IUPACtrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NN)C1(C)C
InChIInChI=1S/C10H18N2O/c1-6(2)5-7-8(9(13)12-11)10(7,3)4/h5,7-8H,11H2,1-4H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyONNOJEVCFHFAQR-HTQZYQBOSA-N
MW182.27 g/mol
LogP1.21
Rot. Bonds2

About trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (PubChem CID 2384205) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
PubChem CID2384205
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NN)C1(C)C
InChIInChI=1S/C10H18N2O/c1-6(2)5-7-8(9(13)12-11)10(7,3)4/h5,7-8H,11H2,1-4H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyONNOJEVCFHFAQR-HTQZYQBOSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (CID 2384205) is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is CC(C)=C[C@@H]1[C@H](C(=O)NN)C1(C)C.
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The InChIKey is ONNOJEVCFHFAQR-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)5-7-8(9(13)12-11)10(7,3)4/h5,7-8H,11H2,1-4H3,(H,12,13)/t7-,8-/m1/s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide has a molecular weight of 182.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 2384205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).