[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate

C16H26N2O2 — CID 90182639

IUPAC[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate
SMILESC=C[C@@H](C/C=C\C)OC(=O)NC1CCCC/C=C\C1N
InChIInChI=1S/C16H26N2O2/c1-3-5-10-13(4-2)20-16(19)18-15-12-9-7-6-8-11-14(15)17/h3-5,8,11,13-15H,2,6-7,9-10,12,17H2,1H3,(H,18,19)/b5-3-,11-8-/t13-,14?,15?/m0/s1
InChIKeyASKVWXHJCGCMOH-VWDSVLRGSA-N
MW278.40 g/mol
LogP3.06
Rot. Bonds5

About [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate

[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate (PubChem CID 90182639) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate.

Molecular Properties

Compound Name[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate
PubChem CID90182639
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate
SMILESC=C[C@@H](C/C=C\C)OC(=O)NC1CCCC/C=C\C1N
InChIInChI=1S/C16H26N2O2/c1-3-5-10-13(4-2)20-16(19)18-15-12-9-7-6-8-11-14(15)17/h3-5,8,11,13-15H,2,6-7,9-10,12,17H2,1H3,(H,18,19)/b5-3-,11-8-/t13-,14?,15?/m0/s1
InChIKeyASKVWXHJCGCMOH-VWDSVLRGSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate?
The IUPAC name of [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate (CID 90182639) is [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate.
What is the SMILES notation for [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate?
The canonical SMILES for [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate is C=C[C@@H](C/C=C\C)OC(=O)NC1CCCC/C=C\C1N.
What is the InChIKey of [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate?
The InChIKey is ASKVWXHJCGCMOH-VWDSVLRGSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-10-13(4-2)20-16(19)18-15-12-9-7-6-8-11-14(15)17/h3-5,8,11,13-15H,2,6-7,9-10,12,17H2,1H3,(H,18,19)/b5-3-,11-8-/t13-,14?,15?/m0/s1.
What are the key properties of [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate?
[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate is sourced from PubChem (CID 90182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).