[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid

C15H20N2O2 — CID 71014615

IUPAC[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid
SMILESNC1CC/C=C\CCC1N(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-14(13)17(15(18)19)12-8-4-3-5-9-12/h1-5,8-9,13-14H,6-7,10-11,16H2,(H,18,19)/b2-1-
InChIKeyOYFWQAFECYZJBN-UPHRSURJSA-N
MW260.34 g/mol
LogP3.00
Rot. Bonds2

About [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid

[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid (PubChem CID 71014615) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid.

Molecular Properties

Compound Name[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid
PubChem CID71014615
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid
SMILESNC1CC/C=C\CCC1N(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-14(13)17(15(18)19)12-8-4-3-5-9-12/h1-5,8-9,13-14H,6-7,10-11,16H2,(H,18,19)/b2-1-
InChIKeyOYFWQAFECYZJBN-UPHRSURJSA-N
XLogP3.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocycloheptyl)-3-bromo-N-phenylpropanamide
CID 21315007
(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
CID 10585628
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
CID 101368590
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
chloro N-cyclopropyl-N-phenylcarbamate
CID 174185498
N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 91453163
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
1,3-bis(9H-fluoren-9-yl)-1,3-diphenylurea
CID 44724331
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702

Frequently Asked Questions

What is the IUPAC name of [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid?
The IUPAC name of [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid (CID 71014615) is [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid.
What is the SMILES notation for [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid?
The canonical SMILES for [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid is NC1CC/C=C\CCC1N(C(=O)O)c1ccccc1.
What is the InChIKey of [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid?
The InChIKey is OYFWQAFECYZJBN-UPHRSURJSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-14(13)17(15(18)19)12-8-4-3-5-9-12/h1-5,8-9,13-14H,6-7,10-11,16H2,(H,18,19)/b2-1-.
What are the key properties of [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid?
[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid has a molecular weight of 260.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid is sourced from PubChem (CID 71014615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).