amino (2R)-2-prop-2-enylazepane-1-carboxylate

C10H18N2O2 — CID 142113387

IUPACamino (2R)-2-prop-2-enylazepane-1-carboxylate
SMILESC=CC[C@H]1CCCCCN1C(=O)ON
InChIInChI=1S/C10H18N2O2/c1-2-6-9-7-4-3-5-8-12(9)10(13)14-11/h2,9H,1,3-8,11H2/t9-/m0/s1
InChIKeyRPJLNHFXVQMUQJ-VIFPVBQESA-N
MW198.27 g/mol
LogP1.82
Rot. Bonds2

About amino (2R)-2-prop-2-enylazepane-1-carboxylate

amino (2R)-2-prop-2-enylazepane-1-carboxylate (PubChem CID 142113387) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is amino (2R)-2-prop-2-enylazepane-1-carboxylate.

Molecular Properties

Compound Nameamino (2R)-2-prop-2-enylazepane-1-carboxylate
PubChem CID142113387
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameamino (2R)-2-prop-2-enylazepane-1-carboxylate
SMILESC=CC[C@H]1CCCCCN1C(=O)ON
InChIInChI=1S/C10H18N2O2/c1-2-6-9-7-4-3-5-8-12(9)10(13)14-11/h2,9H,1,3-8,11H2/t9-/m0/s1
InChIKeyRPJLNHFXVQMUQJ-VIFPVBQESA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze amino (2R)-2-prop-2-enylazepane-1-carboxylate 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

methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
1-(2-prop-2-enylazepan-1-yl)propan-1-one
CID 56945571
4-oxo-4-[(2S)-2-prop-2-enylpiperidin-1-yl]butanoic acid
CID 102402490
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
CID 168982127
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
amino (2R)-2-[(E)-5-amino-6-oxo-6-phenylmethoxyhex-2-enyl]azepane-1-carboxylate
CID 142113421
2-prop-2-enylpiperidin-1-amine
CID 67216893
1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
CID 119469700
tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 11794333

Frequently Asked Questions

What is the IUPAC name of amino (2R)-2-prop-2-enylazepane-1-carboxylate?
The IUPAC name of amino (2R)-2-prop-2-enylazepane-1-carboxylate (CID 142113387) is amino (2R)-2-prop-2-enylazepane-1-carboxylate.
What is the SMILES notation for amino (2R)-2-prop-2-enylazepane-1-carboxylate?
The canonical SMILES for amino (2R)-2-prop-2-enylazepane-1-carboxylate is C=CC[C@H]1CCCCCN1C(=O)ON.
What is the InChIKey of amino (2R)-2-prop-2-enylazepane-1-carboxylate?
The InChIKey is RPJLNHFXVQMUQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-6-9-7-4-3-5-8-12(9)10(13)14-11/h2,9H,1,3-8,11H2/t9-/m0/s1.
What are the key properties of amino (2R)-2-prop-2-enylazepane-1-carboxylate?
amino (2R)-2-prop-2-enylazepane-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2R)-2-prop-2-enylazepane-1-carboxylate is sourced from PubChem (CID 142113387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).