(2-aminocyclooct-3-en-1-yl)carbamic acid

C9H16N2O2 — CID 147865429

IUPAC(2-aminocyclooct-3-en-1-yl)carbamic acid
SMILESNC1C=CCCCCC1NC(=O)O
InChIInChI=1S/C9H16N2O2/c10-7-5-3-1-2-4-6-8(7)11-9(12)13/h3,5,7-8,11H,1-2,4,6,10H2,(H,12,13)
InChIKeyHXODPTXDPHPCPL-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.08
Rot. Bonds1

About (2-aminocyclooct-3-en-1-yl)carbamic acid

(2-aminocyclooct-3-en-1-yl)carbamic acid (PubChem CID 147865429) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2-aminocyclooct-3-en-1-yl)carbamic acid.

Molecular Properties

Compound Name(2-aminocyclooct-3-en-1-yl)carbamic acid
PubChem CID147865429
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2-aminocyclooct-3-en-1-yl)carbamic acid
SMILESNC1C=CCCCCC1NC(=O)O
InChIInChI=1S/C9H16N2O2/c10-7-5-3-1-2-4-6-8(7)11-9(12)13/h3,5,7-8,11H,1-2,4,6,10H2,(H,12,13)
InChIKeyHXODPTXDPHPCPL-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-tert-butyl N-[(1R,2R,3E)-2-aminocyclooct-3-en-1-yl]carbamothioate
CID 118459011
tert-butyl N-[(1R,3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 118458947
(2-amino-3-hydroxycyclohexyl)carbamic acid
CID 122516503
[(3R,5Z)-hepta-1,5-dien-3-yl] N-[(3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 90182639
(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate
CID 123296457
[(1R,3E)-2-iodocyclooct-3-en-1-yl]carbamothioic S-acid
CID 90182692
cyclohept-2-ene-1-carboxylic acid
CID 10606834
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
S-propan-2-yl N-[(3E)-2-hydroxycyclooct-3-en-1-yl]carbamothioate
CID 155458445
(1S,2R)-2-aminocyclohex-3-ene-1-carboxylic acid
CID 7016465

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclooct-3-en-1-yl)carbamic acid?
The IUPAC name of (2-aminocyclooct-3-en-1-yl)carbamic acid (CID 147865429) is (2-aminocyclooct-3-en-1-yl)carbamic acid.
What is the SMILES notation for (2-aminocyclooct-3-en-1-yl)carbamic acid?
The canonical SMILES for (2-aminocyclooct-3-en-1-yl)carbamic acid is NC1C=CCCCCC1NC(=O)O.
What is the InChIKey of (2-aminocyclooct-3-en-1-yl)carbamic acid?
The InChIKey is HXODPTXDPHPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-7-5-3-1-2-4-6-8(7)11-9(12)13/h3,5,7-8,11H,1-2,4,6,10H2,(H,12,13).
What are the key properties of (2-aminocyclooct-3-en-1-yl)carbamic acid?
(2-aminocyclooct-3-en-1-yl)carbamic acid has a molecular weight of 184.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclooct-3-en-1-yl)carbamic acid is sourced from PubChem (CID 147865429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).